Chem 1 Aminoisoquinolin 7 Ylmethanol Dsrpl

Compound 223
  CheckMol                        TMF02:r0:m0
MF=C10H10N2O MW=174.20
 13 14  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2960    0.7609   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5919    0.0119   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5801   -1.4862   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8879    0.7728   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8760   -2.2353   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1839    0.0238   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8641   -3.7334   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1720   -1.4743   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1601   -4.4824   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5444   -4.4705   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4680   -2.2234   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4561   -3.7215   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4 02  0  1  0  0
  3  5 01  0  1  0  0
  4  6 01  0  1  0  0
  5  7 02  0  1  0  0
  6  8 02  0  1  0  0
  6  9 01  0  2  0  0
  8 10 01  0  1  0  0
  8 11  1  0  0  0  0
  9 12 02  0  1  0  0
 10 13 02  0  1  0  0
  7  9 01  0  1  0  0
 12 13 01  0  1  0  0
M  END

(1-Aminoisoquinolin-7-yl)methanol

₹ 0.00 0.00

Chemical Name - (1-Aminoisoquinolin-7-yl)methanol
Mol Weight - 174.202
Smiles - Nc1c(cc(CO)cc2)c2ccn1

Property Name	Property Value
Mol Name	(1-Aminoisoquinolin-7-yl)methanol
Molweight	174.202
Monoisotopic Mass	174.079313
Clogp	0.9299
Clogs	-2.912
H Acceptors	3
H Donors	2
Total Surface Area	135.25
Relative Psa	0.29087
Polar Surface Area	59.14
Druglikeness	-1.8773
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.61538
Molecular Flexibility	0.16448
Molecular Complexity	0.68629
Fragments	1
Non H Atoms	13
Non Ch Atoms	3
Electronegative Atoms	3
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	2
Aromatic Nitrogens	1
Basic Nitrogens	1
Smiles	Nc1c(cc(CO)cc2)c2ccn1
InChIKey	InChI=1S/C10H10N2O/c11-10-9-5-7(6-13)1-2-8(9)3-4-12-10/h1-5,13H,6H2,(H2,11,12)
InChI	BRDJELCDPZJVIF-UHFFFAOYSA-N

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1 - (1-Aminoisoquinolin-7-yl)methanol
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(1-Aminoisoquinolin-7-yl)methanol