[3-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] thiophene-2-carboxylate

Formula:C21H12N2O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] thiophene-2-carboxylate is a drug-like molecule.

MolName	[3-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] thiophene-2-carboxylate
MolecularFormula	C21H12N2O2S2
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C/c1cc(OC(c2cccs2)=O)ccc1
InChI	InChI=1S/C21H12N2O2S2/c22-13-15(20-23-17-7-1-2-8-18(17)27-20)11-14-5-3-6-16(12-14)25-21(24)19-9-4-10-26-19/h1-12H
InChIK	VNOWDQBQSHXHFV-UHFFFAOYSA-N
TotalMolweight	388.47
Molweight	388.47
MonoisotopicMass	388.034018
CLogP	4.6369
CLogS	-5.373
H Acceptors	4
TotalSurfaceArea	292.19
Relative PSA	0.30217
PolarSurfaceArea	119.46
Druglikeness	-2.0122
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Aromatic Nitrogens	1
StereoCon

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