2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide

Formula:C18H14N3OClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C18H14N3OClS2
Smiles	O=C(CSc1nc(cccc2)c2s1)N/N=C\C(\Cl)=C\c1ccccc1
InChI	InChI=1S/C18H14ClN3OS2/c19-14(10-13-6-2-1-3-7-13)11-20-22-17(23)12-24-18-21-15-8-4-5-9-16(15)25-18/h1-11H,12H2,(H,22,23)
InChIK	FDCVWROQIZCJQS-UHFFFAOYSA-N
TotalMolweight	387.914
Molweight	387.914
MonoisotopicMass	387.026679
CLogP	4.3962
CLogS	-6.082
H Acceptors	4
H Donors	1
TotalSurfaceArea	287.67
Relative PSA	0.29489
PolarSurfaceArea	107.89
Druglikeness	5.0581
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	15
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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