3-[[(Z)-2-benzamido-3-(2-nitrophenyl)prop-2-enoyl]amino]propanoic acid

Formula:C19H17N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(Z)-2-benzamido-3-(2-nitrophenyl)prop-2-enoyl]amino]propanoic acid is a drug-like molecule.

MolName	3-[[(Z)-2-benzamido-3-(2-nitrophenyl)prop-2-enoyl]amino]propanoic acid
MolecularFormula	C19H17N3O6
Smiles	[O-][N+](c1c(/C=C(/C(NCCC(O)=O)=O)\NC(c2ccccc2)=O)cccc1)=O
InChI	InChI=1S/C19H17N3O6/c23-17(24)10-11-20-19(26)15(21-18(25)13-6-2-1-3-7-13)12-14-8-4-5-9-16(14)22(27)28/h1-9,12H,10-11H2,(H,20,26)(H,21,25)(H,23,24)
InChIK	QKTJRCNPINASRO-UHFFFAOYSA-N
TotalMolweight	383.359
Molweight	383.359
MonoisotopicMass	383.111737
CLogP	1.3779
CLogS	-3.871
H Acceptors	9
H Donors	3
TotalSurfaceArea	291.44
Relative PSA	0.3622
PolarSurfaceArea	141.32
Druglikeness	-1.5486
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	8
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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