2-[(E)-3H-1,3-benzothiazol-2-ylidene-(4-chlorophenyl)sulfanylmethyl]-1,3-benzothiazole

Formula:C21H13N2ClS3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(E)-3H-1,3-benzothiazol-2-ylidene-(4-chlorophenyl)sulfanylmethyl]-1,3-benzothiazole is not a drug-like molecule.

MolName	2-[(E)-3H-1,3-benzothiazol-2-ylidene-(4-chlorophenyl)sulfanylmethyl]-1,3-benzothiazole
MolecularFormula	C21H13N2ClS3
Smiles	Clc(cc1)ccc1S/C(/c1nc(cccc2)c2s1)=C1/Sc(cccc2)c2N1
InChI	InChI=1S/C21H13ClN2S3/c22-13-9-11-14(12-10-13)25-19(20-23-15-5-1-3-7-17(15)26-20)21-24-16-6-2-4-8-18(16)27-21/h1-12,23H
InChIK	IFXOUGROYQVBAH-UHFFFAOYSA-N
TotalMolweight	424.999
Molweight	424.999
MonoisotopicMass	423.992935
CLogP	5.3391
CLogS	-6.14
H Acceptors	2
H Donors	1
TotalSurfaceArea	293.36
Relative PSA	0.2651
PolarSurfaceArea	103.76
Druglikeness	1.475
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB
Shape Index	0.44444
Fragments	1
Non HAtoms	27
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	3
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	2
Symmetricatoms	2
Aromatic Nitrogens	1
StereoCon

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1 - 2-[(E)-3H-1,3-benzothiazol-2-ylidene-(4-chlorophenyl)sulfanylmethyl]-1,3-benzothiazole | 2 - 2-[(E)-3H-1,3-benzothiazol-2-ylidene-(4-chlorophenyl)sulfanylmethyl]-1,3-benzothiazole

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