(5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one
Molecular Formula : C17H10N4O5S2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one is a drug-like molecule.
MolName : (5Z)-5-[(3-nitrophenyl)methylidene]-3-[(Z)-(3-nitrophenyl)methylideneamino]-2-sulfanylidene-1,3-thiazolidin-4-one |
MolecularFormula : C17H10N4O5S2 |
Smiles : [O-][N+](c1cccc(/C=C(/C(N2/N=C\c3cc([N+]([O-])=O)ccc3)=O)\SC2=S)c1)=O |
InChI : InChI=1S/C17H10N4O5S2/c22-16-15(9-11-3-1-5-13(7-11)20(23)24)28-17(27)19(16)18-10-12-4-2-6-14(8-12)21(25)26/h1-10H |
InChIK : XQXVZALZZYMHOR-UHFFFAOYSA-N |
TotalMolweight : 414.421 |
Molweight : 414.421 |
MonoisotopicMass : 414.009261 |
CLogP : 1.212 |
CLogS : -6.015 |
H Acceptors : 9 |
TotalSurfaceArea : 294.58 |
Relative PSA : 0.45634 |
PolarSurfaceArea : 181.7 |
Druglikeness : -0.25241 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; imine/hydrazone of aldehyde |
Shape Index : 0.57143 |
Fragments : 1 |
Non HAtoms : 28 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 5 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 4 |
AcidicOxygens : 2 |
StereoCon : |