[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
Formula:C14H12N4O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate is a drug-like molecule.
| MolName | [2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate |
| MolecularFormula | C14H12N4O6S |
| Smiles | NC(N/N=C\c(cccc1)c1OS(c(cc1)ccc1[N+]([O-])=O)(=O)=O)=O |
| InChI | InChI=1S/C14H12N4O6S/c15-14(19)17-16-9-10-3-1-2-4-13(10)24-25(22,23)12-7-5-11(6-8-12)18(20)21/h1-9H,(H3,15,17,19) |
| InChIK | IEEJRXRJMUKABA-UHFFFAOYSA-N |
| TotalMolweight | 364.337 |
| Molweight | 364.337 |
| MonoisotopicMass | 364.047756 |
| CLogP | 1.0926 |
| CLogS | -4.048 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 257.76 |
| Relative PSA | 0.46664 |
| PolarSurfaceArea | 165.05 |
| Druglikeness | -5.0252 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate | 2 - [2-[(Z)-(carbamoylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
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