N'-(3-nitroanilino)-N-phenyliminobenzenecarboximidamide
Formula:C19H15N5O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-(3-nitroanilino)-N-phenyliminobenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-(3-nitroanilino)-N-phenyliminobenzenecarboximidamide |
| MolecularFormula | C19H15N5O2 |
| Smiles | [O-][N+](c1cc(N/N=C(/c2ccccc2)\N=N\c2ccccc2)ccc1)=O |
| InChI | InChI=1S/C19H15N5O2/c25-24(26)18-13-7-12-17(14-18)21-23-19(15-8-3-1-4-9-15)22-20-16-10-5-2-6-11-16/h1-14,21H |
| InChIK | DFNLSHMKMVGJCG-UHFFFAOYSA-N |
| TotalMolweight | 345.361 |
| Molweight | 345.361 |
| MonoisotopicMass | 345.122575 |
| CLogP | 5.6335 |
| CLogS | -5.418 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 273.9 |
| Relative PSA | 0.27897 |
| PolarSurfaceArea | 94.93 |
| Druglikeness | -8.5389 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | aromatic nitro; azo |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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