3-[(3E)-3-benzylidene-5-(4-chlorophenyl)-2-oxopyrrol-1-yl]-4-chlorobenzoic acid

Formula:C24H15NO3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[(3E)-3-benzylidene-5-(4-chlorophenyl)-2-oxopyrrol-1-yl]-4-chlorobenzoic acid is not a drug-like molecule.

MolName	3-[(3E)-3-benzylidene-5-(4-chlorophenyl)-2-oxopyrrol-1-yl]-4-chlorobenzoic acid
MolecularFormula	C24H15NO3Cl2
Smiles	OC(c(cc1)cc(N(C(c(cc2)ccc2Cl)=C/C2=C\c3ccccc3)C2=O)c1Cl)=O
InChI	InChI=1S/C24H15Cl2NO3/c25-19-9-6-16(7-10-19)21-14-18(12-15-4-2-1-3-5-15)23(28)27(21)22-13-17(24(29)30)8-11-20(22)26/h1-14H,(H,29,30)
InChIK	VSGXOFZHRBBORA-UHFFFAOYSA-N
TotalMolweight	436.293
Molweight	436.293
MonoisotopicMass	435.042898
CLogP	5.7249
CLogS	-6.509
H Acceptors	4
H Donors	1
TotalSurfaceArea	311.69
Relative PSA	0.13709
PolarSurfaceArea	57.61
Druglikeness	2.9805
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	high
Nasty Functions
Shape Index	0.43333
Fragments	1
Non HAtoms	30
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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