[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] benzoate

Formula:C23H14N2O2S Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] benzoate is a drug-like molecule.

MolName	[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] benzoate
MolecularFormula	C23H14N2O2S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cc1)ccc1OC(c1ccccc1)=O
InChI	InChI=1S/C23H14N2O2S/c24-15-18(22-25-20-8-4-5-9-21(20)28-22)14-16-10-12-19(13-11-16)27-23(26)17-6-2-1-3-7-17/h1-14H
InChIK	YKZICZYLTOTYOI-UHFFFAOYSA-N
TotalMolweight	382.442
Molweight	382.442
MonoisotopicMass	382.077598
CLogP	4.7703
CLogS	-5.363
H Acceptors	4
TotalSurfaceArea	296.25
Relative PSA	0.2293
PolarSurfaceArea	91.22
Druglikeness	-2.9787
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	4
Aromatic Nitrogens	1
StereoCon

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