(3E)-3-(nitromethylidene)isoindol-1-amine
Formula:C9H7N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(nitromethylidene)isoindol-1-amine is a drug-like molecule.
| MolName | (3E)-3-(nitromethylidene)isoindol-1-amine |
| MolecularFormula | C9H7N3O2 |
| Smiles | NC(c1c2cccc1)=N/C2=C/[N+]([O-])=O |
| InChI | InChI=1S/C9H7N3O2/c10-9-7-4-2-1-3-6(7)8(11-9)5-12(13)14/h1-5H,(H2,10,11) |
| InChIK | OAZDMQZTSGKRFU-UHFFFAOYSA-N |
| TotalMolweight | 189.174 |
| Molweight | 189.174 |
| MonoisotopicMass | 189.053827 |
| CLogP | -0.4802 |
| CLogS | -2.657 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 139.63 |
| Relative PSA | 0.40965 |
| PolarSurfaceArea | 84.2 |
| Druglikeness | -5.075 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 1 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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