(E)-2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide

Formula:C23H15N2O2Cl2F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[4-[(3,4-dichlorophenyl)methoxy]phenyl]-N-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C23H15N2O2Cl2F
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)ccc1OCc(cc1)cc(Cl)c1Cl
InChI	InChI=1S/C23H15Cl2FN2O2/c24-21-10-3-16(12-22(21)25)14-30-20-8-1-15(2-9-20)11-17(13-27)23(29)28-19-6-4-18(26)5-7-19/h1-12H,14H2,(H,28,29)
InChIK	FRJOLMJDDVSBHD-UHFFFAOYSA-N
TotalMolweight	441.288
Molweight	441.288
MonoisotopicMass	440.04946
CLogP	5.6492
CLogS	-6.897
H Acceptors	4
H Donors	1
TotalSurfaceArea	329.36
Relative PSA	0.14592
PolarSurfaceArea	62.12
Druglikeness	-3.2528
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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