Chem 5 Hydroxy 7 Methoxy 2 Phenylchromen 4 One Dsrpl

Compound 369
  CheckMol                        TMF02:r0:m0
MF=C16H12O4 MW=268.27
 20 22  0  4  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0118    1.5081   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3196    2.2621   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2724    2.2739   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -1.3314    3.7702   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6274    1.5316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2607    3.7820   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0471    4.5242   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6391    4.5360   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6391    0.0471   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9352    2.2857   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5449    4.5360   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9469    3.7938   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8291    3.8056   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5331    6.0441   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2547    4.5478   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1133    4.5596   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8173    6.8099   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5625    3.8173   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1016    6.0677   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3 01  0  1  0  0
  2  4 01  0  1  0  0
  3  5 02  0  2  0  0
  3  6 01  0  1  0  0
  4  7 02  0  1  0  0
  5  8 01  0  1  0  0
  5  9 01  0  1  0  0
  6 10  1  0  0  0  0
  6 11 02  0  1  0  0
  7 12  1  0  0  0  0
  9 13 02  0  1  0  0
 12 14 02  0  1  0  0
 12 15 01  0  1  0  0
 13 16  1  0  0  0  0
 14 17 01  0  1  0  0
 15 18 02  0  1  0  0
 16 19  1  0  0  0  0
 17 20 02  0  1  0  0
  7  8 01  0  1  0  0
 11 13 01  0  1  0  0
 18 20 01  0  1  0  0
M  END

5-Hydroxy-7-methoxy-2-phenylchromen-4-one

₹ 0.00 0.00

Chemical Name - 5-Hydroxy-7-methoxy-2-phenylchromen-4-one
Mol Weight - 268.267
Smiles - COc(cc1O)cc(OC(c2ccccc2)=C2)c1C2=O

Property Name	Property Value
Mol Name	5-Hydroxy-7-methoxy-2-phenylchromen-4-one
Molweight	268.267
Monoisotopic Mass	268.07356
Clogp	2.9571
Clogs	-3.466
H Acceptors	4
H Donors	1
Total Surface Area	200.59
Relative Psa	0.23002
Polar Surface Area	55.76
Druglikeness	0.40331
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.55
Molecular Flexibility	0.30504
Molecular Complexity	0.80548
Fragments	1
Non H Atoms	20
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	4
Symmetric Atoms	2
Smiles	COc(cc1O)cc(OC(c2ccccc2)=C2)c1C2=O
InChIKey	InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3
InChI	IRZVHDLBAYNPCT-UHFFFAOYSA-N

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5-Hydroxy-7-methoxy-2-phenylchromen-4-one