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(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

CAS: 72002-54-1

Formula: C12H12N2O2

SMILES: OC(=O)[C@H]1CC2=C(CN1)NC1=CC=CC=C21

IUPAC: (3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-3-carboxylic acid

InChI: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m1/s1

Composition: C (66.65%), H (5.59%), N (12.96%), O (14.80%)

Molar Mass: 216.24

Atom Count: 28

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 216.089877634
Formal Charge 0
FSP3 0.25
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey FSNCEEGOMTYXKY-SNVBAGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.41
Topological Polar Surface Area 65.12
Polarizability 24.2
Ring Count 3
Rotatable Bond Count 1

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