[(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] 2-(4-chlorophenyl)acetate

Formula:C17H10N3O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:low [(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] 2-(4-chlorophenyl)acetate is a drug-like molecule.

MolName	[(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] 2-(4-chlorophenyl)acetate
MolecularFormula	C17H10N3O2ClS
Smiles	N#C/C(/c1nc(cccc2)c2s1)=N/OC(Cc(cc1)ccc1Cl)=O
InChI	InChI=1S/C17H10ClN3O2S/c18-12-7-5-11(6-8-12)9-16(22)23-21-14(10-19)17-20-13-3-1-2-4-15(13)24-17/h1-8H,9H2
InChIK	UEKRDCIZEHRSEE-UHFFFAOYSA-N
TotalMolweight	355.804
Molweight	355.804
MonoisotopicMass	355.018224
CLogP	3.7129
CLogS	-5.244
H Acceptors	5
TotalSurfaceArea	263.93
Relative PSA	0.30099
PolarSurfaceArea	103.58
Druglikeness	-6.3495
Mutagenic	high
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions
Shape Index	0.625
Fragments	1
Non HAtoms	24
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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