(E)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-(thiophene-2-carbonyl)prop-2-enenitrile

Formula:C21H13NO2Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-(thiophene-2-carbonyl)prop-2-enenitrile is not a drug-like molecule.

MolName	(E)-3-[2-[(2,6-dichlorophenyl)methoxy]phenyl]-2-(thiophene-2-carbonyl)prop-2-enenitrile
MolecularFormula	C21H13NO2Cl2S
Smiles	N#C/C(/C(c1cccs1)=O)=C\c(cccc1)c1OCc(c(Cl)ccc1)c1Cl
InChI	InChI=1S/C21H13Cl2NO2S/c22-17-6-3-7-18(23)16(17)13-26-19-8-2-1-5-14(19)11-15(12-24)21(25)20-9-4-10-27-20/h1-11H,13H2
InChIK	VUZUMQMUQAKAEI-UHFFFAOYSA-N
TotalMolweight	414.311
Molweight	414.311
MonoisotopicMass	413.004403
CLogP	5.5825
CLogS	-6.935
H Acceptors	3
TotalSurfaceArea	307.49
Relative PSA	0.18524
PolarSurfaceArea	78.33
Druglikeness	-1.8485
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.51852
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	3
StereoCon

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