4-[(2Z)-2-(3-phenylpropylidene)hydrazinyl]benzenesulfonic acid
Formula:C15H16N2O3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-(3-phenylpropylidene)hydrazinyl]benzenesulfonic acid is a drug-like molecule.
| MolName | 4-[(2Z)-2-(3-phenylpropylidene)hydrazinyl]benzenesulfonic acid |
| MolecularFormula | C15H16N2O3S |
| Smiles | OS(c(cc1)ccc1N/N=C\CCc1ccccc1)(=O)=O |
| InChI | InChI=1S/C15H16N2O3S/c18-21(19,20)15-10-8-14(9-11-15)17-16-12-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-12,17H,4,7H2,(H,18,19,20) |
| InChIK | VOYLLXQBFPSSRW-UHFFFAOYSA-N |
| TotalMolweight | 304.369 |
| Molweight | 304.369 |
| MonoisotopicMass | 304.088163 |
| CLogP | 2.7532 |
| CLogS | -1.912 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 231.69 |
| Relative PSA | 0.27904 |
| PolarSurfaceArea | 87.14 |
| Druglikeness | -0.08228 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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