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

Formula:C22H14N2S Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-2-(1,3-benzothiazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile is a drug-like molecule.

MolName	(E)-2-(1,3-benzothiazol-2-yl)-3-(4-phenylphenyl)prop-2-enenitrile
MolecularFormula	C22H14N2S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cc1)ccc1-c1ccccc1
InChI	InChI=1S/C22H14N2S/c23-15-19(22-24-20-8-4-5-9-21(20)25-22)14-16-10-12-18(13-11-16)17-6-2-1-3-7-17/h1-14H
InChIK	WEMCIFFDZYFQIJ-UHFFFAOYSA-N
TotalMolweight	338.433
Molweight	338.433
MonoisotopicMass	338.087768
CLogP	4.999
CLogS	-5.979
H Acceptors	2
TotalSurfaceArea	268.5
Relative PSA	0.16719
PolarSurfaceArea	64.92
Druglikeness	-3.0693
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.6
Fragments	1
Non HAtoms	25
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	3
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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