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

Formula:C23H16N2O4BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoic acid is not a drug-like molecule.

MolName	3-[[(E)-2-[(4-bromobenzoyl)amino]-3-(4-chlorophenyl)prop-2-enoyl]amino]benzoic acid
MolecularFormula	C23H16N2O4BrCl
Smiles	OC(c1cccc(NC(/C(/NC(c(cc2)ccc2Br)=O)=C\c(cc2)ccc2Cl)=O)c1)=O
InChI	InChI=1S/C23H16BrClN2O4/c24-17-8-6-15(7-9-17)21(28)27-20(12-14-4-10-18(25)11-5-14)22(29)26-19-3-1-2-16(13-19)23(30)31/h1-13H,(H,26,29)(H,27,28)(H,30,31)
InChIK	IYSXLQUAOPZRLO-UHFFFAOYSA-N
TotalMolweight	499.747
Molweight	499.747
MonoisotopicMass	497.998196
CLogP	5.2401
CLogS	-6.456
H Acceptors	6
H Donors	3
TotalSurfaceArea	334.06
Relative PSA	0.22493
PolarSurfaceArea	95.5
Druglikeness	1.138
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48387
Fragments	1
Non HAtoms	31
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	2
AcidicOxygens	1
StereoCon

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

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