N-[(Z)-[(3Z)-2-nitro-3-(phenylhydrazinylidene)propylidene]amino]aniline
Formula:C15H15N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[(3Z)-2-nitro-3-(phenylhydrazinylidene)propylidene]amino]aniline is a drug-like molecule.
| MolName | N-[(Z)-[(3Z)-2-nitro-3-(phenylhydrazinylidene)propylidene]amino]aniline |
| MolecularFormula | C15H15N5O2 |
| Smiles | [O-][N+](C(/C=N\Nc1ccccc1)/C=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C15H15N5O2/c21-20(22)15(11-16-18-13-7-3-1-4-8-13)12-17-19-14-9-5-2-6-10-14/h1-12,15,18-19H |
| InChIK | IKQYBSBIBFKSHM-UHFFFAOYSA-N |
| TotalMolweight | 297.317 |
| Molweight | 297.317 |
| MonoisotopicMass | 297.122575 |
| CLogP | 4.0227 |
| CLogS | -3.116 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 241.63 |
| Relative PSA | 0.31602 |
| PolarSurfaceArea | 94.6 |
| Druglikeness | -2.9145 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 11 |
| AcidicOxygens | 1 |
| StereoCon |
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