(4E)-4-(4-chlorophenyl)-4-[5-(4-chlorophenyl)-2-oxo-1H-pyrrol-3-ylidene]butanoic acid

Formula:C20H15NO3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4E)-4-(4-chlorophenyl)-4-[5-(4-chlorophenyl)-2-oxo-1H-pyrrol-3-ylidene]butanoic acid is a drug-like molecule.

MolName	(4E)-4-(4-chlorophenyl)-4-[5-(4-chlorophenyl)-2-oxo-1H-pyrrol-3-ylidene]butanoic acid
MolecularFormula	C20H15NO3Cl2
Smiles	OC(CC/C(/c(cc1)ccc1Cl)=C(/C=C(c(cc1)ccc1Cl)N1)\C1=O)=O
InChI	InChI=1S/C20H15Cl2NO3/c21-14-5-1-12(2-6-14)16(9-10-19(24)25)17-11-18(23-20(17)26)13-3-7-15(22)8-4-13/h1-8,11H,9-10H2,(H,23,26)(H,24,25)
InChIK	BTXITMQNZMNSAE-UHFFFAOYSA-N
TotalMolweight	388.249
Molweight	388.249
MonoisotopicMass	387.042898
CLogP	4.3446
CLogS	-4.757
H Acceptors	4
H Donors	2
TotalSurfaceArea	278.82
Relative PSA	0.18162
PolarSurfaceArea	66.4
Druglikeness	2.342
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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