N-[(E)-[naphthalen-2-yl(nitro)methylidene]amino]aniline
Formula:C17H13N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[naphthalen-2-yl(nitro)methylidene]amino]aniline is a drug-like molecule.
| MolName | N-[(E)-[naphthalen-2-yl(nitro)methylidene]amino]aniline |
| MolecularFormula | C17H13N3O2 |
| Smiles | [O-][N+](/C(/c1cc2ccccc2cc1)=N/Nc1ccccc1)=O |
| InChI | InChI=1S/C17H13N3O2/c21-20(22)17(19-18-16-8-2-1-3-9-16)15-11-10-13-6-4-5-7-14(13)12-15/h1-12,18H |
| InChIK | BFOMBODDLXUPQD-UHFFFAOYSA-N |
| TotalMolweight | 291.309 |
| Molweight | 291.309 |
| MonoisotopicMass | 291.100777 |
| CLogP | 4.982 |
| CLogS | -4.871 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 225.72 |
| Relative PSA | 0.23653 |
| PolarSurfaceArea | 70.21 |
| Druglikeness | -4.3992 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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