8-nitroquinoline-4-carboxylic acid

8-nitroquinoline-4-carboxylic acid

CAS: 121689-22-3

Formula: C10H6N2O4

SMILES: OC(=O)C1=CC=NC2=C(C=CC=C12)[N+]([O-])=O

IUPAC: 8-nitroquinoline-4-carboxylic acid

InChI: InChI=1S/C10H6N2O4/c13-10(14)7-4-5-11-9-6(7)2-1-3-8(9)12(15)16/h1-5H,(H,13,14)

Composition: C (55.05%), H (2.77%), N (12.84%), O (29.33%)

Molar Mass: 218.168

Atom Count: 22

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	218.032756681
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ORRCVWMWVBLLBR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.56
Topological Polar Surface Area	93.33
Polarizability	21.18
Ring Count	2
Rotatable Bond Count	2

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