5-nitro-2-(3-phenylpropylamino)benzoic acid

Structure Molecule image
Relationships Total Number of functionally related protein(s) : 54
Total Number of Articles : 66
PubChem 4549
Molecular Formula

C16H16N2O4

SMILES

C1=CC=C(C=C1)CCCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H16N2O4/c19-16(20)14-11-13(18(21)22)8-9-15(14)17-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,11,17H,4,7,10H2,(H,19,20)

synonyms
  • NPPB
  • 107254-86-4
  • 5-Nitro-2-(3-phenylpropylamino)benzoic acid
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Properties
Property Value
MW 300.31 g/mol
HBD 2
HBA 5
Rotatable Bond Count 6
Exact Mass 300.11100700 g/mol
Monoisotopic Mass 300.11100700 g/mol
Heavy Atom Count 22
Isotope Atom Count 0
Atom Stereo Count 0
Covalent Unit Count 1
Complexity 377
xlogp 4.1
Topological Polar Surface Area 95.2