N'-anilino-N-(4-bromophenyl)imino-3-nitrobenzenecarboximidamide
Formula:C19H14N5O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
N'-anilino-N-(4-bromophenyl)imino-3-nitrobenzenecarboximidamide is not a drug-like molecule.
| MolName | N'-anilino-N-(4-bromophenyl)imino-3-nitrobenzenecarboximidamide |
| MolecularFormula | C19H14N5O2Br |
| Smiles | [O-][N+](c1cccc(/C(/N=N/c(cc2)ccc2Br)=N\Nc2ccccc2)c1)=O |
| InChI | InChI=1S/C19H14BrN5O2/c20-15-9-11-17(12-10-15)22-24-19(23-21-16-6-2-1-3-7-16)14-5-4-8-18(13-14)25(26)27/h1-13,21H |
| InChIK | WZIFJANGMMGHFC-UHFFFAOYSA-N |
| TotalMolweight | 424.257 |
| Molweight | 424.257 |
| MonoisotopicMass | 423.033086 |
| CLogP | 6.3587 |
| CLogS | -6.252 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 292.53 |
| Relative PSA | 0.2612 |
| PolarSurfaceArea | 94.93 |
| Druglikeness | -10.329 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; azo |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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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