5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate
Molecular Formula : C12H8N3O7S | Mutagenic : high | Tumorigenic : high | Reproductive Effective : none |5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate is a drug-like molecule.
MolName : 5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]furan-2-sulfonate |
MolecularFormula : C12H8N3O7S |
Smiles : [O-][N+](c(cc1)ccc1C(N/N=C\c(o1)ccc1S([O-])(=O)=O)=O)=O |
InChI : InChI=1S/C12H9N3O7S/c16-12(8-1-3-9(4-2-8)15(17)18)14-13-7-10-5-6-11(22-10)23(19,20)21/h1-7H,(H,14,16)(H,19,20,21)/p-1 |
InChIK : CAMSBXSBXDJYPZ-UHFFFAOYSA-M |
TotalMolweight : 338.276 |
Molweight : 338.276 |
MonoisotopicMass : 338.008297 |
CLogP : -1.9108 |
CLogS : -2.232 |
H Acceptors : 10 |
H Donors : 1 |
TotalSurfaceArea : 236.46 |
Relative PSA : 0.52186 |
PolarSurfaceArea : 166 |
Druglikeness : -11.959 |
Mutagenic : high |
Tumorigenic : high |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
Shape Index : 0.65217 |
Fragments : 1 |
Non HAtoms : 23 |
NonCHAtoms : 11 |
Electronegative Atoms : 11 |
Rotatable Bond : 5 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 11 |
Sp3Atoms : 3 |
Symmetricatoms : 3 |
AcidicOxygens : 2 |
StereoCon : |