4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

Formula:C23H16N3O6Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid is not a drug-like molecule.

MolName	4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C23H16N3O6Br
Smiles	[O-][N+](c1ccc(/C=C(\C(Nc(cc2)ccc2C(O)=O)=O)/NC(c(cccc2)c2Br)=O)cc1)=O
InChI	InChI=1S/C23H16BrN3O6/c24-19-4-2-1-3-18(19)21(28)26-20(13-14-5-11-17(12-6-14)27(32)33)22(29)25-16-9-7-15(8-10-16)23(30)31/h1-13H,(H,25,29)(H,26,28)(H,30,31)
InChIK	VKZVHHUYWDSWJR-UHFFFAOYSA-N
TotalMolweight	510.299
Molweight	510.299
MonoisotopicMass	509.022248
CLogP	3.7125
CLogS	-6.18
H Acceptors	9
H Donors	3
TotalSurfaceArea	342.31
Relative PSA	0.30838
PolarSurfaceArea	141.32
Druglikeness	-3.9815
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.48485
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	4
Amides	2
AcidicOxygens	2
StereoCon

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1 - 4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid | 2 - 4-[[(E)-2-[(2-bromobenzoyl)amino]-3-(4-nitrophenyl)prop-2-enoyl]amino]benzoic acid

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