(E)-3-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C16H10NOCl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[3,5-dichloro-4-[(2-chlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C16H10NOCl3
Smiles	N#C/C=C/c(cc1Cl)cc(Cl)c1OCc(cccc1)c1Cl
InChI	InChI=1S/C16H10Cl3NO/c17-13-6-2-1-5-12(13)10-21-16-14(18)8-11(4-3-7-20)9-15(16)19/h1-6,8-9H,10H2
InChIK	FLFPPYXBLINSOW-UHFFFAOYSA-N
TotalMolweight	338.62
Molweight	338.62
MonoisotopicMass	336.982795
CLogP	5.1619
CLogS	-6.221
H Acceptors	2
TotalSurfaceArea	251.25
Relative PSA	0.093771
PolarSurfaceArea	33.02
Druglikeness	-5.7962
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	21
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	3
StereoCon

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