3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate

Formula:C24H16N2O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate is a drug-like molecule.

MolName	3-[[(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyanoprop-2-enoyl]amino]benzoate
MolecularFormula	C24H16N2O4Cl
Smiles	N#C/C(/C(Nc1cc(C([O-])=O)ccc1)=O)=C\c(cc1)ccc1OCc(cc1)ccc1Cl
InChI	InChI=1S/C24H17ClN2O4/c25-20-8-4-17(5-9-20)15-31-22-10-6-16(7-11-22)12-19(14-26)23(28)27-21-3-1-2-18(13-21)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)/p-1
InChIK	QXRVNDCFCHMEAR-UHFFFAOYSA-M
TotalMolweight	431.854
Molweight	431.854
MonoisotopicMass	431.07986
CLogP	2.3515
CLogS	-5.86
H Acceptors	6
H Donors	1
TotalSurfaceArea	332.87
Relative PSA	0.22645
PolarSurfaceArea	102.25
Druglikeness	-1.7465
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64516
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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