2',3',4',9'-tetrahydrospiro[cyclohexane-1,1'-pyrido[3,4-b]indole]-3'-carboxylic acid

2',3',4',9'-tetrahydrospiro[cyclohexane-1,1'-pyrido[3,4-b]indole]-3'-carboxylic acid

CAS: 100068-46-0

Formula: C17H20N2O2

SMILES: OC(=O)C1CC2=C(NC3=CC=CC=C23)C2(CCCCC2)N1

IUPAC: 2',3',4',9'-tetrahydrospiro[cyclohexane-1,1'-pyrido[3,4-b]indole]-3'-carboxylic acid

InChI: InChI=1/C17H20N2O2/c20-16(21)14-10-12-11-6-2-3-7-13(11)18-15(12)17(19-14)8-4-1-5-9-17/h2-3,6-7,14,18-19H,1,4-5,8-10H2,(H,20,21)

Composition: C (71.81%), H (7.09%), N (9.85%), O (11.25%)

Molar Mass: 284.359

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	284.152477892
Formal Charge	0
FSP3	0.47
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	SZWKSGNRSHBSNP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.31
Topological Polar Surface Area	65.12
Polarizability	32.69
Ring Count	4
Rotatable Bond Count	1

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