isoquinoline-7-carboxylic acid

isoquinoline-7-carboxylic acid

CAS: 221050-96-0

Formula: C10H7NO2

SMILES: OC(=O)C1=CC2=CN=CC=C2C=C1

IUPAC: isoquinoline-7-carboxylic acid

InChI: InChI=1S/C10H7NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-6H,(H,12,13)

Composition: C (69.36%), H (4.07%), N (8.09%), O (18.48%)

Molar Mass: 173.171

Atom Count: 20

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	173.047678469
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	QUFUUBBLCOBJPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.61
Topological Polar Surface Area	50.19
Polarizability	19.26
Ring Count	2
Rotatable Bond Count	1

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