2-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid

Formula:C18H14N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C18H14N3O6Cl
Smiles	[O-][N+](c1cccc(/C=C(/C(NCC(O)=O)=O)\NC(c(cccc2)c2Cl)=O)c1)=O
InChI	InChI=1S/C18H14ClN3O6/c19-14-7-2-1-6-13(14)17(25)21-15(18(26)20-10-16(23)24)9-11-4-3-5-12(8-11)22(27)28/h1-9H,10H2,(H,20,26)(H,21,25)(H,23,24)
InChIK	MXCOMGZGIAVOKA-UHFFFAOYSA-N
TotalMolweight	403.777
Molweight	403.777
MonoisotopicMass	403.057114
CLogP	1.5295
CLogS	-4.337
H Acceptors	9
H Donors	3
TotalSurfaceArea	293.1
Relative PSA	0.36015
PolarSurfaceArea	141.32
Druglikeness	-6.4931
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.46429
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	2
AcidicOxygens	2
StereoCon

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1 - 2-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(Z)-2-[(2-chlorobenzoyl)amino]-3-(3-nitrophenyl)prop-2-enoyl]amino]acetic acid

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