4-[[4-chloro-2-[(E)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid

Formula:C24H16N2O4Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[4-chloro-2-[(E)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid is not a drug-like molecule.

MolName	4-[[4-chloro-2-[(E)-3-(2-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H16N2O4Cl2
Smiles	N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c(cc(cc1)Cl)c1OCc(cc1)ccc1C(O)=O
InChI	InChI=1S/C24H16Cl2N2O4/c25-19-9-10-22(32-14-15-5-7-16(8-6-15)24(30)31)17(12-19)11-18(13-27)23(29)28-21-4-2-1-3-20(21)26/h1-12H,14H2,(H,28,29)(H,30,31)
InChIK	NUWLUQMMXJOZBB-UHFFFAOYSA-N
TotalMolweight	467.307
Molweight	467.307
MonoisotopicMass	466.048712
CLogP	5.0335
CLogS	-6.596
H Acceptors	6
H Donors	2
TotalSurfaceArea	347.11
Relative PSA	0.21377
PolarSurfaceArea	99.42
Druglikeness	-1.927
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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