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

Formula:C25H19N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]benzoic acid is not a drug-like molecule.

MolName	4-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]benzoic acid
MolecularFormula	C25H19N2O4Cl
Smiles	OC(c(cc1)ccc1NC(/C(/NC(c(cccc1)c1Cl)=O)=C\C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C25H19ClN2O4/c26-21-11-5-4-10-20(21)23(29)28-22(12-6-9-17-7-2-1-3-8-17)24(30)27-19-15-13-18(14-16-19)25(31)32/h1-16H,(H,27,30)(H,28,29)(H,31,32)
InChIK	DPMLQYLKZKSNIH-UHFFFAOYSA-N
TotalMolweight	446.889
Molweight	446.889
MonoisotopicMass	446.103335
CLogP	5.1715
CLogS	-5.934
H Acceptors	6
H Donors	3
TotalSurfaceArea	341.93
Relative PSA	0.21975
PolarSurfaceArea	95.5
Druglikeness	3.1328
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	4
Amides	2
AcidicOxygens	1
StereoCon

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1 - 4-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]benzoic acid | 2 - 4-[[(2E,4E)-2-[(2-chlorobenzoyl)amino]-5-phenylpenta-2,4-dienoyl]amino]benzoic acid

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