(2Z)-2-[(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile
Molecular Formula : C20H12N3O4ClS | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(2Z)-2-[(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile is a drug-like molecule.
MolName : (2Z)-2-[(5Z)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-[(3-nitrophenyl)methylidene]-4-oxo-1,3-thiazolidin-2-ylidene]acetonitrile |
MolecularFormula : C20H12N3O4ClS |
Smiles : N#C/C=C(/N(CC(c(cc1)ccc1Cl)=O)C1=O)\S/C1=C\c1cc([N+]([O-])=O)ccc1 |
InChI : InChI=1S/C20H12ClN3O4S/c21-15-6-4-14(5-7-15)17(25)12-23-19(8-9-22)29-18(20(23)26)11-13-2-1-3-16(10-13)24(27)28/h1-8,10-11H,12H2 |
InChIK : IWYAKIJPSRKIIK-UHFFFAOYSA-N |
TotalMolweight : 425.851 |
Molweight : 425.851 |
MonoisotopicMass : 425.023704 |
CLogP : 2.8711 |
CLogS : -6.182 |
H Acceptors : 7 |
TotalSurfaceArea : 306.79 |
Relative PSA : 0.29695 |
PolarSurfaceArea : 132.29 |
Druglikeness : -4.0711 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : polar activated DB; aromatic nitro |
Shape Index : 0.55172 |
Fragments : 1 |
Non HAtoms : 29 |
NonCHAtoms : 9 |
Electronegative Atoms : 9 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
Amides : 1 |
AcidicOxygens : 1 |
StereoCon : |