6-nitro-1H-indole-3-carboxylic acid

6-nitro-1H-indole-3-carboxylic acid

CAS: 10242-03-2

Formula: C9H6N2O4

SMILES: OC(=O)C1=CNC2=CC(=CC=C12)[N+]([O-])=O

IUPAC: 6-nitro-1H-indole-3-carboxylic acid

InChI: InChI=1S/C9H6N2O4/c12-9(13)7-4-10-8-3-5(11(14)15)1-2-6(7)8/h1-4,10H,(H,12,13)

Composition: C (52.44%), H (2.93%), N (13.59%), O (31.04%)

Molar Mass: 206.157

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	206.032756681
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MWFVAHOPRCFNCA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.72
Topological Polar Surface Area	96.23
Polarizability	19.78
Ring Count	2
Rotatable Bond Count	2

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