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(E)-2-benzoyl-3-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile

Formula:C23H14NO2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:low (E)-2-benzoyl-3-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.
MolName(E)-2-benzoyl-3-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormulaC23H14NO2Cl3
SmilesN#C/C(/C(c1ccccc1)=O)=C\c(cc(cc1)Cl)c1OCc(cc1)cc(Cl)c1Cl
InChIInChI=1S/C23H14Cl3NO2/c24-19-7-9-22(29-14-15-6-8-20(25)21(26)10-15)17(12-19)11-18(13-27)23(28)16-4-2-1-3-5-16/h1-12H,14H2
InChIKSPLBQPYBYGGOHY-UHFFFAOYSA-N
TotalMolweight442.728
Molweight442.728
MonoisotopicMass441.00901
CLogP6.3219
CLogS-7.661
H Acceptors3
TotalSurfaceArea326.97
Relative PSA0.11194
PolarSurfaceArea50.09
Druglikeness-3.9254
Mutagenicnone
Tumorigenicnone
Reproductive Effectivelow
Irritantnone
Nasty Functionstwice activated DB
Shape Index0.55172
Fragments1
Non HAtoms29
NonCHAtoms6
Electronegative Atoms6
Rotatable Bond6
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms2
Symmetricatoms2
StereoCon

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