5-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate
Formula:C17H14N3O5S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate is a drug-like molecule.
| MolName | 5-[(Z)-[[2-(naphthalen-2-ylamino)acetyl]hydrazinylidene]methyl]furan-2-sulfonate |
| MolecularFormula | C17H14N3O5S |
| Smiles | [O-]S(c1ccc(/C=N\NC(CNc2cc3ccccc3cc2)=O)o1)(=O)=O |
| InChI | InChI=1S/C17H15N3O5S/c21-16(20-19-10-15-7-8-17(25-15)26(22,23)24)11-18-14-6-5-12-3-1-2-4-13(12)9-14/h1-10,18H,11H2,(H,20,21)(H,22,23,24)/p-1 |
| InChIK | XWDYRFPJKURSGS-UHFFFAOYSA-M |
| TotalMolweight | 372.38 |
| Molweight | 372.38 |
| MonoisotopicMass | 372.065417 |
| CLogP | -0.5029 |
| CLogS | -3.2 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 272.61 |
| Relative PSA | 0.38311 |
| PolarSurfaceArea | 132.21 |
| Druglikeness | -1.7961 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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