[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate
Formula:C15H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-(diaminomethylidenehydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C15H14N4O2 |
| Smiles | NC(N)=N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C15H14N4O2/c16-15(17)19-18-10-11-6-8-13(9-7-11)21-14(20)12-4-2-1-3-5-12/h1-10H,(H4,16,17,19) |
| InChIK | IAQNKPVTPWBNRH-UHFFFAOYSA-N |
| TotalMolweight | 282.302 |
| Molweight | 282.302 |
| MonoisotopicMass | 282.111676 |
| CLogP | 3.3038 |
| CLogS | -4.46 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 225.54 |
| Relative PSA | 0.33963 |
| PolarSurfaceArea | 103.06 |
| Druglikeness | 1.1474 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| BasicNitrogens | 1 |
| StereoCon |
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