(5Z)-3-(1,3-benzodioxol-5-yl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one

Formula:C17H11N2O3ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-3-(1,3-benzodioxol-5-yl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one is a drug-like molecule.

MolName(5Z)-3-(1,3-benzodioxol-5-yl)-5-[(4-chlorophenyl)methylidene]-2-imino-1,3-thiazolidin-4-one
MolecularFormulaC17H11N2O3ClS
SmilesN=C(N(C1=O)c(cc2)cc3c2OCO3)S/C1=C\c(cc1)ccc1Cl
InChIInChI=1S/C17H11ClN2O3S/c18-11-3-1-10(2-4-11)7-15-16(21)20(17(19)24-15)12-5-6-13-14(8-12)23-9-22-13/h1-8,19H,9H2
InChIKHSLPRMSWCIIZBV-UHFFFAOYSA-N
TotalMolweight358.804
Molweight358.804
MonoisotopicMass358.01789
CLogP3.5559
CLogS-5.259
H Acceptors5
H Donors1
TotalSurfaceArea245.76
Relative PSA0.28353
PolarSurfaceArea87.92
Druglikeness3.5127
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.58333
Fragments1
Non HAtoms24
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond2
Rings Closures4
Small Rings4
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms2
Amides1
StereoCon

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