2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid

Formula:C18H15N3O6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid is a drug-like molecule.

MolName	2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid
MolecularFormula	C18H15N3O6
Smiles	[O-][N+](c1ccc(/C=C(/C(NCC(O)=O)=O)\NC(c2ccccc2)=O)cc1)=O
InChI	InChI=1S/C18H15N3O6/c22-16(23)11-19-18(25)15(20-17(24)13-4-2-1-3-5-13)10-12-6-8-14(9-7-12)21(26)27/h1-10H,11H2,(H,19,25)(H,20,24)(H,22,23)
InChIK	MXLBXHKBYKWIDZ-UHFFFAOYSA-N
TotalMolweight	369.332
Molweight	369.332
MonoisotopicMass	369.096087
CLogP	0.9235
CLogS	-3.601
H Acceptors	9
H Donors	3
TotalSurfaceArea	277.68
Relative PSA	0.38015
PolarSurfaceArea	141.32
Druglikeness	-6.5593
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	2
AcidicOxygens	2
StereoCon

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1 - 2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid | 2 - 2-[[(Z)-2-benzamido-3-(4-nitrophenyl)prop-2-enoyl]amino]acetic acid

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