4-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzenesulfonamide

Formula:C20H14N4O2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzenesulfonamide is a drug-like molecule.

MolName	4-[2-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]pyrrol-1-yl]benzenesulfonamide
MolecularFormula	C20H14N4O2S2
Smiles	NS(c(cc1)ccc1-n1c(/C=C(/c2nc(cccc3)c3s2)\C#N)ccc1)(=O)=O
InChI	InChI=1S/C20H14N4O2S2/c21-13-14(20-23-18-5-1-2-6-19(18)27-20)12-16-4-3-11-24(16)15-7-9-17(10-8-15)28(22,25)26/h1-12H,(H2,22,25,26)
InChIK	FBKVCBYORQCGOW-UHFFFAOYSA-N
TotalMolweight	406.489
Molweight	406.489
MonoisotopicMass	406.055816
CLogP	2.3427
CLogS	-6.129
H Acceptors	6
H Donors	1
TotalSurfaceArea	294.8
Relative PSA	0.32432
PolarSurfaceArea	138.39
Druglikeness	0.47448
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	4
Aromatic Atoms	20
Sp3Atoms	1
Symmetricatoms	3
Amides	1
Aromatic Nitrogens	2
StereoCon

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