[4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate

Formula:C23H20NO3ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:none [4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate is a drug-like molecule.

MolName	[4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C23H20NO3ClS2
Smiles	O=C(c(cc1)ccc1Cl)Oc1ccc(/C=C(/C(N2C3CCCCC3)=O)\SC2=S)cc1
InChI	InChI=1S/C23H20ClNO3S2/c24-17-10-8-16(9-11-17)22(27)28-19-12-6-15(7-13-19)14-20-21(26)25(23(29)30-20)18-4-2-1-3-5-18/h6-14,18H,1-5H2
InChIK	MPTKZYZDPKPJKT-UHFFFAOYSA-N
TotalMolweight	458.001
Molweight	458.001
MonoisotopicMass	457.057311
CLogP	4.9893
CLogS	-6.918
H Acceptors	4
TotalSurfaceArea	333.45
Relative PSA	0.25527
PolarSurfaceArea	104
Druglikeness	-2.0027
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	6
Amides	1
StereoCon

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1 - [4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate | 2 - [4-[(Z)-(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 4-chlorobenzoate

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