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

Formula:C23H17N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	3-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoic acid
MolecularFormula	C23H17N2O4Br
Smiles	OC(c1cccc(NC(/C(/NC(c(cc2)ccc2Br)=O)=C\c2ccccc2)=O)c1)=O
InChI	InChI=1S/C23H17BrN2O4/c24-18-11-9-16(10-12-18)21(27)26-20(13-15-5-2-1-3-6-15)22(28)25-19-8-4-7-17(14-19)23(29)30/h1-14H,(H,25,28)(H,26,27)(H,29,30)
InChIK	XMTZYOWLXBONQB-UHFFFAOYSA-N
TotalMolweight	465.302
Molweight	465.302
MonoisotopicMass	464.037169
CLogP	4.6341
CLogS	-5.72
H Acceptors	6
H Donors	3
TotalSurfaceArea	318.64
Relative PSA	0.23581
PolarSurfaceArea	95.5
Druglikeness	1.0771
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
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-phenylprop-2-enoyl]amino]benzoic acid | 2 - 3-[[(E)-2-[(4-bromobenzoyl)amino]-3-phenylprop-2-enoyl]amino]benzoic acid

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