Chem 7 Carboxy 1 Hydroxyisoquinoline Dsrpl

Compound 285
  CheckMol                        TMF02:r0:m0
MF=C10H7NO3 MW=189.17
 14 15  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3082    0.7543   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3200    2.2628   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    0.0236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6282   -1.4614   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9246    0.7896   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9364   -2.2039   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2328    0.0471   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9481   -3.6889   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2445   -1.4378   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6635   -4.4313   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2563   -4.4196   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5527   -2.1685   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5645   -3.6653   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9 02  0  1  0  0
  7 10 01  0  2  0  0
  9 11  1  0  0  0  0
  9 12 01  0  1  0  0
 10 13 02  0  1  0  0
 12 14 02  0  1  0  0
  8 10 01  0  1  0  0
 13 14 01  0  1  0  0
M  END

7-Carboxy-1-hydroxyisoquinoline

₹ 0.00 0.00

Chemical Name - 7-Carboxy-1-hydroxyisoquinoline
Mol Weight - 189.17
Smiles - OC(c(ccc1ccn2)cc1c2O)=O

Property Name	Property Value
Mol Name	7-Carboxy-1-hydroxyisoquinoline
Molweight	189.17
Monoisotopic Mass	189.042594
Clogp	1.1735
Clogs	-2.669
H Acceptors	4
H Donors	2
Total Surface Area	137.07
Relative Psa	0.36631
Polar Surface Area	70.42
Druglikeness	-1.5746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.57143
Molecular Flexibility	0.23557
Molecular Complexity	0.70595
Fragments	1
Non H Atoms	14
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	1
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3 Atoms	2
Aromatic Nitrogens	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	OC(c(ccc1ccn2)cc1c2O)=O
InChIKey	InChI=1S/C10H7NO3/c12-9-8-5-7(10(13)14)2-1-6(8)3-4-11-9/h1-5H,(H,11,12)(H,13,14)
InChI	POVYCMYIJRLRGP-UHFFFAOYSA-N

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7-Carboxy-1-hydroxyisoquinoline