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

Formula:C23H15NO2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:high (E)-2-benzoyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-2-benzoyl-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enenitrile
MolecularFormula	C23H15NO2Cl2
Smiles	N#C/C(/C(c1ccccc1)=O)=C\c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C23H15Cl2NO2/c24-21-11-8-17(13-22(21)25)15-28-20-9-6-16(7-10-20)12-19(14-26)23(27)18-4-2-1-3-5-18/h1-13H,15H2
InChIK	FAHIIMZYBCPALA-UHFFFAOYSA-N
TotalMolweight	408.283
Molweight	408.283
MonoisotopicMass	407.047983
CLogP	5.7159
CLogS	-6.925
H Acceptors	3
TotalSurfaceArea	311.55
Relative PSA	0.11748
PolarSurfaceArea	50.09
Druglikeness	-3.9254
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64286
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
StereoCon

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