Chem 2 Di1h Indol 3 Ylmethylphenol Dsrpl

Compound 398
  CheckMol                        TMF02:r0:m0
MF=C23H18N2O MW=338.41
 26 30  0  7  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3142    0.7577   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6284    0.0237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3260    2.2732   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9425    0.7814   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6402   -1.4681   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6402    3.0309   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9544    2.2969   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3497   -2.2021   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9544   -2.2021   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.2076   -3.6821   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.0118   -1.5746   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -4.1201   -3.6821   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.3396   -1.5746   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.2486   -3.9781   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.2258   -4.7831   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.0064   -2.6757   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.6001   -3.9781   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.1256   -4.7831   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.3578   -2.6757   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    0.6985   -5.3988   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.7759   -6.2039   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.0736   -5.3988   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.5992   -6.2039   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.3197   -6.4999   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.0791   -6.4999   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3 02  0  1  0  0
  2  4 01  0  1  0  0
  3  5 01  0  1  0  0
  3  6  1  0  0  0  0
  4  7 02  0  1  0  0
  5  8 02  0  1  0  0
  6  9  1  0  0  0  0
  6 10  1  0  0  0  0
  9 11 01  0  1  0  0
  9 12 02  0  1  0  0
 10 13 01  0  1  0  0
 10 14 02  0  1  0  0
 11 15 02  0  2  0  0
 11 16 01  0  1  0  0
 12 17 01  0  1  0  0
 13 18 02  0  2  0  0
 13 19 01  0  1  0  0
 14 20 01  0  1  0  0
 15 21 01  0  1  0  0
 16 22 02  0  1  0  0
 18 23 01  0  1  0  0
 19 24 02  0  1  0  0
 21 25 02  0  1  0  0
 23 26 02  0  1  0  0
  7  8 01  0  1  0  0
 15 17 01  0  1  0  0
 18 20 01  0  1  0  0
 22 25 01  0  1  0  0
 24 26 01  0  1  0  0
M  END

2-(di(1H-indol-3-yl)methyl)phenol

₹ 0.00 0.00

Chemical Name - 2-(di(1H-indol-3-yl)methyl)phenol
Mol Weight - 338.409
Smiles - Oc1c(C(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cccc1

Property Name	Property Value
Mol Name	2-(di(1H-indol-3-yl)methyl)phenol
Molweight	338.409
Monoisotopic Mass	338.141913
Clogp	4.09
Clogs	-4.614
H Acceptors	3
H Donors	3
Total Surface Area	259.97
Relative Psa	0.15802
Polar Surface Area	51.81
Druglikeness	0.12923
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.42308
Molecular Flexibility	0.21672
Molecular Complexity	0.85699
Fragments	1
Non H Atoms	26
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	3
Rings Closures	5
Small Rings	5
Aromatic Rings	5
Aromatic Atoms	24
Sp3 Atoms	2
Symmetric Atoms	9
Aromatic Nitrogens	2
Smiles	Oc1c(C(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)cccc1
InChIKey	InChI=1S/C23H18N2O/c26-22-12-6-3-9-17(22)23(18-13-24-20-10-4-1-7-15(18)20)19-14-25-21-11-5-2-8-16(19)21/h1-14,23-26H
InChI	RMICSEYOBOALHT-UHFFFAOYSA-N

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1 - 2-(di(1H-indol-3-yl)methyl)phenol
2 - 2-(di(1H-indol-3-yl)methyl)phenol

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2-(di(1H-indol-3-yl)methyl)phenol