2-(cyclohexylamino)-5-nitrobenzonitrile

2-(cyclohexylamino)-5-nitrobenzonitrile

CAS: 940764-92-1

Formula: C13H15N3O2

SMILES: [O-][N+](=O)C1=CC(C#N)=C(NC2CCCCC2)C=C1

IUPAC: 2-(cyclohexylamino)-5-nitrobenzonitrile

InChI: InChI=1S/C13H15N3O2/c14-9-10-8-12(16(17)18)6-7-13(10)15-11-4-2-1-3-5-11/h6-8,11,15H,1-5H2

Composition: C (63.66%), H (6.16%), N (17.13%), O (13.05%)

Molar Mass: 245.282

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	245.116426735
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YBQOJQWARANKMO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.31
Topological Polar Surface Area	78.96
Polarizability	25.49
Ring Count	2
Rotatable Bond Count	3

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