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

Formula:C18H14N3OBrS2 Mutagenic:high Tumorigenic:low Reproductive Effective:none 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide is a drug-like molecule.

MolName	2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(Z)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]acetamide
MolecularFormula	C18H14N3OBrS2
Smiles	O=C(CSc1nc(cccc2)c2s1)N/N=C\C(\Br)=C\c1ccccc1
InChI	InChI=1S/C18H14BrN3OS2/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	RQYUVKSFILBYJB-UHFFFAOYSA-N
TotalMolweight	432.365
Molweight	432.365
MonoisotopicMass	430.976163
CLogP	4.5272
CLogS	-6.224
H Acceptors	4
H Donors	1
TotalSurfaceArea	290.88
Relative PSA	0.29163
PolarSurfaceArea	107.89
Druglikeness	-0.33155
Mutagenic	high
Tumorigenic	low
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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