4-[(Z)-N-anilino-C-phenylcarbonimidoyl]-2-nitroaniline
Formula:C19H16N4O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
4-[(Z)-N-anilino-C-phenylcarbonimidoyl]-2-nitroaniline is a drug-like molecule.
| MolName | 4-[(Z)-N-anilino-C-phenylcarbonimidoyl]-2-nitroaniline |
| MolecularFormula | C19H16N4O2 |
| Smiles | Nc(ccc(/C(/c1ccccc1)=N\Nc1ccccc1)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C19H16N4O2/c20-17-12-11-15(13-18(17)23(24)25)19(14-7-3-1-4-8-14)22-21-16-9-5-2-6-10-16/h1-13,21H,20H2 |
| InChIK | PWRAQGXVTPWCTG-UHFFFAOYSA-N |
| TotalMolweight | 332.362 |
| Molweight | 332.362 |
| MonoisotopicMass | 332.127326 |
| CLogP | 4.4387 |
| CLogS | -5.461 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 259.4 |
| Relative PSA | 0.26469 |
| PolarSurfaceArea | 96.23 |
| Druglikeness | -4.1706 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-N-anilino-C-phenylcarbonimidoyl]-2-nitroaniline | 2 - 4-[(Z)-N-anilino-C-phenylcarbonimidoyl]-2-nitroaniline
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