1,3-benzothiazol-2-yl (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate

Formula:C20H13N2O2BrS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1,3-benzothiazol-2-yl (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate is not a drug-like molecule.

MolName	1,3-benzothiazol-2-yl (E)-N-(4-bromophenyl)sulfonylbenzenecarboximidothioate
MolecularFormula	C20H13N2O2BrS3
Smiles	O=S(c(cc1)ccc1Br)(/N=C(\c1ccccc1)/Sc1nc(cccc2)c2s1)=O
InChI	InChI=1S/C20H13BrN2O2S3/c21-15-10-12-16(13-11-15)28(24,25)23-19(14-6-2-1-3-7-14)27-20-22-17-8-4-5-9-18(17)26-20/h1-13H
InChIK	UVZRSJYKMQVAAL-UHFFFAOYSA-N
TotalMolweight	489.437
Molweight	489.437
MonoisotopicMass	487.932249
CLogP	5.4398
CLogS	-7.035
H Acceptors	4
TotalSurfaceArea	309.75
Relative PSA	0.28704
PolarSurfaceArea	121.31
Druglikeness	0.94326
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.5
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	5
Aromatic Nitrogens	1
StereoCon

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