4-[[(2E,4E)-2-[(4-bromobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]benzoic acid

Formula:C25H19N2O4Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(2E,4E)-2-[(4-bromobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]benzoic acid is not a drug-like molecule.

MolName	4-[[(2E,4E)-2-[(4-bromobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]benzoic acid
MolecularFormula	C25H19N2O4Br
Smiles	OC(c(cc1)ccc1NC(/C(/NC(c(cc1)ccc1Br)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C25H19BrN2O4/c26-20-13-9-18(10-14-20)23(29)28-22(8-4-7-17-5-2-1-3-6-17)24(30)27-21-15-11-19(12-16-21)25(31)32/h1-16H,(H,27,30)(H,28,29)(H,31,32)
InChIK	LEFWABNJQKEMQJ-UHFFFAOYSA-N
TotalMolweight	491.34
Molweight	491.34
MonoisotopicMass	490.052819
CLogP	5.2907
CLogS	-6.032
H Acceptors	6
H Donors	3
TotalSurfaceArea	345.14
Relative PSA	0.21771
PolarSurfaceArea	95.5
Druglikeness	1.2791
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	32
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	6
Amides	2
AcidicOxygens	1
StereoCon

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