[(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] pyridine-2-carboxylate

Formula:C15H8N4O2S Mutagenic:high Tumorigenic:none Reproductive Effective:none [(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] pyridine-2-carboxylate is a drug-like molecule.

MolName	[(Z)-[1,3-benzothiazol-2-yl(cyano)methylidene]amino] pyridine-2-carboxylate
MolecularFormula	C15H8N4O2S
Smiles	N#C/C(/c1nc(cccc2)c2s1)=N/OC(c1ncccc1)=O
InChI	InChI=1S/C15H8N4O2S/c16-9-12(14-18-10-5-1-2-7-13(10)22-14)19-21-15(20)11-6-3-4-8-17-11/h1-8H
InChIK	CFCCUCNFEMBLBQ-UHFFFAOYSA-N
TotalMolweight	308.321
Molweight	308.321
MonoisotopicMass	308.036796
CLogP	2.1619
CLogS	-3.772
H Acceptors	6
TotalSurfaceArea	233.51
Relative PSA	0.38718
PolarSurfaceArea	116.47
Druglikeness	-5.2955
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	1
Aromatic Nitrogens	2
StereoCon

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