(Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide

Formula:C22H21N2O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide is a drug-like molecule.

MolName	(Z)-3-[2-[(4-chlorophenyl)methoxy]phenyl]-2-cyano-N-(oxolan-2-ylmethyl)prop-2-enamide
MolecularFormula	C22H21N2O3Cl
Smiles	N#C/C(/C(NCC1OCCC1)=O)=C/c(cccc1)c1OCc(cc1)ccc1Cl
InChI	InChI=1S/C22H21ClN2O3/c23-19-9-7-16(8-10-19)15-28-21-6-2-1-4-17(21)12-18(13-24)22(26)25-14-20-5-3-11-27-20/h1-2,4,6-10,12,20H,3,5,11,14-15H2,(H,25,26)/t20-/m1/s1
InChIK	UEFKZVSFMUAIPF-HXUWFJFHSA-N
TotalMolweight	396.873
Molweight	396.873
MonoisotopicMass	396.12407
CLogP	3.5335
CLogS	-5.025
H Acceptors	5
H Donors	1
TotalSurfaceArea	311.87
Relative PSA	0.18617
PolarSurfaceArea	71.35
Druglikeness	-2.5087
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
StereoCenters	1
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	2
Amides	1
StereoCon	racemate

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