[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate

Formula:C27H21N3O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate is not a drug-like molecule.

MolName	[4-[(E)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]phenyl] 4-pyrrolidin-1-ylsulfonylbenzoate
MolecularFormula	C27H21N3O4S2
Smiles	N#C/C(/c1nc(cccc2)c2s1)=C\c(cc1)ccc1OC(c(cc1)ccc1S(N1CCCC1)(=O)=O)=O
InChI	InChI=1S/C27H21N3O4S2/c28-18-21(26-29-24-5-1-2-6-25(24)35-26)17-19-7-11-22(12-8-19)34-27(31)20-9-13-23(14-10-20)36(32,33)30-15-3-4-16-30/h1-2,5-14,17H,3-4,15-16H2
InChIK	INVZKFHOBNWBTP-UHFFFAOYSA-N
TotalMolweight	515.613
Molweight	515.613
MonoisotopicMass	515.097347
CLogP	4.6351
CLogS	-5.188
H Acceptors	7
TotalSurfaceArea	376.67
Relative PSA	0.26564
PolarSurfaceArea	136.98
Druglikeness	1.2246
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.58333
Fragments	1
Non HAtoms	36
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	21
Sp3Atoms	6
Symmetricatoms	7
Amides	1
Aromatic Nitrogens	1
StereoCon

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