[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] naphthalene-2-sulfonate
Formula:C28H20N2O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] naphthalene-2-sulfonate is not a drug-like molecule.
| MolName | [4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenyl] naphthalene-2-sulfonate |
| MolecularFormula | C28H20N2O4S |
| Smiles | O=C(c1cccc2ccccc12)N/N=C\c(cc1)ccc1OS(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C28H20N2O4S/c31-28(27-11-5-9-22-7-3-4-10-26(22)27)30-29-19-20-12-15-24(16-13-20)34-35(32,33)25-17-14-21-6-1-2-8-23(21)18-25/h1-19H,(H,30,31) |
| InChIK | KZCSAVVJPGJCMU-UHFFFAOYSA-N |
| TotalMolweight | 480.543 |
| Molweight | 480.543 |
| MonoisotopicMass | 480.114378 |
| CLogP | 6.4693 |
| CLogS | -7.707 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 354.53 |
| Relative PSA | 0.21039 |
| PolarSurfaceArea | 93.21 |
| Druglikeness | 2.2225 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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