(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2-phenylethyl)prop-2-enamide

Formula:C25H21N2O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2-phenylethyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[4-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(2-phenylethyl)prop-2-enamide
MolecularFormula	C25H21N2O2Cl
Smiles	N#C/C(/C(NCCc1ccccc1)=O)=C\c(cc1)ccc1OCc(cc1)ccc1Cl
InChI	InChI=1S/C25H21ClN2O2/c26-23-10-6-21(7-11-23)18-30-24-12-8-20(9-13-24)16-22(17-27)25(29)28-15-14-19-4-2-1-3-5-19/h1-13,16H,14-15,18H2,(H,28,29)
InChIK	KJKDADJQOOGQGR-UHFFFAOYSA-N
TotalMolweight	416.907
Molweight	416.907
MonoisotopicMass	416.129155
CLogP	5.0819
CLogS	-5.775
H Acceptors	4
H Donors	1
TotalSurfaceArea	335.11
Relative PSA	0.14342
PolarSurfaceArea	62.12
Druglikeness	-1.2998
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.7
Fragments	1
Non HAtoms	30
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	6
Amides	1
StereoCon

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