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

Formula:C24H17N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H17N2O4Cl
Smiles	N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c(cccc1)c1OCc(cc1)ccc1C(O)=O
InChI	InChI=1S/C24H17ClN2O4/c25-20-9-11-21(12-10-20)27-23(28)19(14-26)13-18-3-1-2-4-22(18)31-15-16-5-7-17(8-6-16)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)
InChIK	GXTKFOJYFAFXTP-UHFFFAOYSA-N
TotalMolweight	432.862
Molweight	432.862
MonoisotopicMass	432.087685
CLogP	4.4275
CLogS	-5.86
H Acceptors	6
H Donors	2
TotalSurfaceArea	331.69
Relative PSA	0.2237
PolarSurfaceArea	99.42
Druglikeness	-1.927
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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