3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

Formula:C23H15N3O6Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate is a drug-like molecule.

MolName	3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate
MolecularFormula	C23H15N3O6Cl
Smiles	[O-]C(c1cccc(NC(/C(/NC(c(cccc2)c2Cl)=O)=C\c(cc2)ccc2[N+]([O-])=O)=O)c1)=O
InChI	InChI=1S/C23H16ClN3O6/c24-19-7-2-1-6-18(19)21(28)26-20(12-14-8-10-17(11-9-14)27(32)33)22(29)25-16-5-3-4-15(13-16)23(30)31/h1-13H,(H,25,29)(H,26,28)(H,30,31)/p-1
InChIK	QXNSENMKKMXMKH-UHFFFAOYSA-M
TotalMolweight	464.84
Molweight	464.84
MonoisotopicMass	464.064939
CLogP	1.5173
CLogS	-6.082
H Acceptors	9
H Donors	2
TotalSurfaceArea	340.28
Relative PSA	0.31368
PolarSurfaceArea	144.15
Druglikeness	-1.925
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.45455
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
Amides	2
AcidicOxygens	2
StereoCon

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1 - 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate | 2 - 3-[[(E)-2-[(2-chlorobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoate

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