N'-anilino-N-(4-nitrophenyl)iminobenzenecarboximidamide
Formula:C19H15N5O2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-anilino-N-(4-nitrophenyl)iminobenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-anilino-N-(4-nitrophenyl)iminobenzenecarboximidamide |
| MolecularFormula | C19H15N5O2 |
| Smiles | [O-][N+](c(cc1)ccc1/N=N/C(/c1ccccc1)=N\Nc1ccccc1)=O |
| InChI | InChI=1S/C19H15N5O2/c25-24(26)18-13-11-17(12-14-18)21-23-19(15-7-3-1-4-8-15)22-20-16-9-5-2-6-10-16/h1-14,20H |
| InChIK | USQPMEJHBDRXND-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 | none |
| Nasty Functions | aromatic nitro; azo |
| Shape Index | 0.57692 |
| 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 | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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