(E)-3-(3,4-dichlorophenyl)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile

Formula:C17H8NO2Cl2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-(3,4-dichlorophenyl)-2-[4-(trifluoromethoxy)benzoyl]prop-2-enenitrile
MolecularFormula	C17H8NO2Cl2F3
Smiles	N#C/C(/C(c(cc1)ccc1OC(F)(F)F)=O)=C\c(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C17H8Cl2F3NO2/c18-14-6-1-10(8-15(14)19)7-12(9-23)16(24)11-2-4-13(5-3-11)25-17(20,21)22/h1-8H
InChIK	QSVHTCKHVLYAFF-UHFFFAOYSA-N
TotalMolweight	386.156
Molweight	386.156
MonoisotopicMass	384.988417
CLogP	5.4668
CLogS	-6.607
H Acceptors	3
TotalSurfaceArea	267.49
Relative PSA	0.13683
PolarSurfaceArea	50.09
Druglikeness	-11.75
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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