(E)-3-[4-(difluoromethoxy)phenyl]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile

Formula:C17H14N2OF2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[4-(difluoromethoxy)phenyl]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-3-[4-(difluoromethoxy)phenyl]-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)prop-2-enenitrile
MolecularFormula	C17H14N2OF2S
Smiles	N#C/C(/c1nc(CCCC2)c2s1)=C\c(cc1)ccc1OC(F)F
InChI	InChI=1S/C17H14F2N2OS/c18-17(19)22-13-7-5-11(6-8-13)9-12(10-20)16-21-14-3-1-2-4-15(14)23-16/h5-9,17H,1-4H2
InChIK	CXFMZGOLXUSCNU-UHFFFAOYSA-N
TotalMolweight	332.373
Molweight	332.373
MonoisotopicMass	332.079489
CLogP	3.6251
CLogS	-4.507
H Acceptors	3
TotalSurfaceArea	250.88
Relative PSA	0.21879
PolarSurfaceArea	74.15
Druglikeness	-10.194
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6087
Fragments	1
Non HAtoms	23
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	3
Aromatic Nitrogens	1
StereoCon

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