3-amino-4-(cyclohexylamino)benzoic acid

3-amino-4-(cyclohexylamino)benzoic acid

CAS: 329020-79-3

Formula: C13H18N2O2

SMILES: NC1=C(NC2CCCCC2)C=CC(=C1)C(O)=O

IUPAC: 3-amino-4-(cyclohexylamino)benzoic acid

InChI: InChI=1S/C13H18N2O2/c14-11-8-9(13(16)17)6-7-12(11)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5,14H2,(H,16,17)

Composition: C (66.64%), H (7.74%), N (11.96%), O (13.66%)

Molar Mass: 234.299

Atom Count: 35

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	234.136827828
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	UKGXJCYVYQRBSB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.22
Topological Polar Surface Area	75.35
Polarizability	25.26
Ring Count	2
Rotatable Bond Count	3

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