[4-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate

Formula:C28H25N2O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [4-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate is not a drug-like molecule.

MolName	[4-[(2E)-2-(4-chlorophenyl)sulfonylimino-3-cyclohexyl-1,3-thiazol-4-yl]phenyl] benzoate
MolecularFormula	C28H25N2O4ClS2
Smiles	O=C(c1ccccc1)Oc(cc1)ccc1C(N1C2CCCCC2)=CS/C1=N/S(c(cc1)ccc1Cl)(=O)=O
InChI	InChI=1S/C28H25ClN2O4S2/c29-22-13-17-25(18-14-22)37(33,34)30-28-31(23-9-5-2-6-10-23)26(19-36-28)20-11-15-24(16-12-20)35-27(32)21-7-3-1-4-8-21/h1,3-4,7-8,11-19,23H,2,5-6,9-10H2
InChIK	FLJUSRRRUJJLAY-UHFFFAOYSA-N
TotalMolweight	553.102
Molweight	553.102
MonoisotopicMass	552.094425
CLogP	7.0603
CLogS	-7.331
H Acceptors	6
TotalSurfaceArea	394.3
Relative PSA	0.21347
PolarSurfaceArea	109.72
Druglikeness	-0.26388
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.54054
Fragments	1
Non HAtoms	37
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	9
Symmetricatoms	9
BasicNitrogens	1
StereoCon

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