[2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
Formula:C24H17N3O6S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate is a drug-like molecule.
| MolName | [2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate |
| MolecularFormula | C24H17N3O6S |
| Smiles | [O-][N+](c(cc1)ccc1S(Oc1c(/C=N\NC(c2cccc3ccccc23)=O)cccc1)(=O)=O)=O |
| InChI | InChI=1S/C24H17N3O6S/c28-24(22-10-5-8-17-6-1-3-9-21(17)22)26-25-16-18-7-2-4-11-23(18)33-34(31,32)20-14-12-19(13-15-20)27(29)30/h1-16H,(H,26,28) |
| InChIK | YAIIEHLXFUBSAI-UHFFFAOYSA-N |
| TotalMolweight | 475.48 |
| Molweight | 475.48 |
| MonoisotopicMass | 475.083807 |
| CLogP | 4.3533 |
| CLogS | -6.561 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 343.6 |
| Relative PSA | 0.30562 |
| PolarSurfaceArea | 139.03 |
| Druglikeness | -5.1099 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55882 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate | 2 - [2-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzenesulfonate
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