(E)-2-(1,3-benzothiazol-2-yl)-3-(4-fluoro-3-phenoxyphenyl)prop-2-enenitrile

Formula:C22H13N2OFS Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(4-fluoro-3-phenoxyphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(4-fluoro-3-phenoxyphenyl)prop-2-enenitrile
MolecularFormula	C22H13N2OFS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cc1)cc(Oc2ccccc2)c1F
InChI	InChI=1S/C22H13FN2OS/c23-18-11-10-15(13-20(18)26-17-6-2-1-3-7-17)12-16(14-24)22-25-19-8-4-5-9-21(19)27-22/h1-13H
InChIK	ODIYMHAZWPUPMF-UHFFFAOYSA-N
TotalMolweight	372.422
Molweight	372.422
MonoisotopicMass	372.073261
CLogP	4.8362
CLogS	-6.504
H Acceptors	3
TotalSurfaceArea	284.85
Relative PSA	0.1927
PolarSurfaceArea	74.15
Druglikeness	-4.4595
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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