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

Formula:C23H13N2O2ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[3-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-chlorobenzoate
MolecularFormula	C23H13N2O2ClS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c1cccc(OC(c(cc2)ccc2Cl)=O)c1
InChI	InChI=1S/C23H13ClN2O2S/c24-18-10-8-16(9-11-18)23(27)28-19-5-3-4-15(13-19)12-17(14-25)22-26-20-6-1-2-7-21(20)29-22/h1-13H
InChIK	PFGJEMGAMNTPPJ-UHFFFAOYSA-N
TotalMolweight	416.887
Molweight	416.887
MonoisotopicMass	416.038625
CLogP	5.3763
CLogS	-6.099
H Acceptors	4
TotalSurfaceArea	311.67
Relative PSA	0.21795
PolarSurfaceArea	91.22
Druglikeness	-2.8894
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	1
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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