3-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzonitrile

Formula:C23H15N2OCl Mutagenic:none Tumorigenic:none Reproductive Effective:high 3-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzonitrile is not a drug-like molecule.

MolName	3-[(E)-2-[2-[(2-chlorophenyl)methoxy]phenyl]-1-cyanoethenyl]benzonitrile
MolecularFormula	C23H15N2OCl
Smiles	N#C/C(/c1cc(C#N)ccc1)=C/c(cccc1)c1OCc(cccc1)c1Cl
InChI	InChI=1S/C23H15ClN2O/c24-22-10-3-1-8-20(22)16-27-23-11-4-2-7-19(23)13-21(15-26)18-9-5-6-17(12-18)14-25/h1-13H,16H2
InChIK	QEERMIPEPAXLKO-UHFFFAOYSA-N
TotalMolweight	370.838
Molweight	370.838
MonoisotopicMass	370.08729
CLogP	5.1223
CLogS	-6.479
H Acceptors	3
TotalSurfaceArea	300.09
Relative PSA	0.1237
PolarSurfaceArea	56.81
Druglikeness	-5.155
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
StereoCon

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