4-[(E)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid
Formula:C9H10N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(E)-(diaminomethylidenehydrazinylidene)methyl]benzoic acid |
| MolecularFormula | C9H10N4O2 |
| Smiles | NC(N)=N/N=C/c(cc1)ccc1C(O)=O |
| InChI | InChI=1S/C9H10N4O2/c10-9(11)13-12-5-6-1-3-7(4-2-6)8(14)15/h1-5H,(H,14,15)(H4,10,11,13) |
| InChIK | RAQABEGPTYMRTN-UHFFFAOYSA-N |
| TotalMolweight | 206.204 |
| Molweight | 206.204 |
| MonoisotopicMass | 206.080376 |
| CLogP | 0.7419 |
| CLogS | -3.003 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 162.13 |
| Relative PSA | 0.49158 |
| PolarSurfaceArea | 114.06 |
| Druglikeness | 1.2231 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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