3-[(3E)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid

Formula:C28H17NO4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 3-[(3E)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid is not a drug-like molecule.

MolName	3-[(3E)-3-[[5-(3,4-dichlorophenyl)furan-2-yl]methylidene]-2-oxo-5-phenylpyrrol-1-yl]benzoic acid
MolecularFormula	C28H17NO4Cl2
Smiles	OC(c1cccc(N(C(c2ccccc2)=C/C2=C\c3ccc(-c(cc4)cc(Cl)c4Cl)o3)C2=O)c1)=O
InChI	InChI=1S/C28H17Cl2NO4/c29-23-11-9-18(15-24(23)30)26-12-10-22(35-26)14-20-16-25(17-5-2-1-3-6-17)31(27(20)32)21-8-4-7-19(13-21)28(33)34/h1-16H,(H,33,34)
InChIK	SLDWYMPIBZCJHK-UHFFFAOYSA-N
TotalMolweight	502.352
Molweight	502.352
MonoisotopicMass	501.053463
CLogP	6.6638
CLogS	-7.969
H Acceptors	5
H Donors	1
TotalSurfaceArea	361.14
Relative PSA	0.15739
PolarSurfaceArea	70.75
Druglikeness	3.9533
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.48571
Fragments	1
Non HAtoms	35
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	1
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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