2-(2-chlorophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]quinazolin-4-amine
Formula:C21H14N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(2-chlorophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]quinazolin-4-amine is not a drug-like molecule.
| MolName | 2-(2-chlorophenyl)-N-[(Z)-(2-nitrophenyl)methylideneamino]quinazolin-4-amine |
| MolecularFormula | C21H14N5O2Cl |
| Smiles | [O-][N+](c1c(/C=N\Nc2nc(-c(cccc3)c3Cl)nc3ccccc23)cccc1)=O |
| InChI | InChI=1S/C21H14ClN5O2/c22-17-10-4-2-8-15(17)20-24-18-11-5-3-9-16(18)21(25-20)26-23-13-14-7-1-6-12-19(14)27(28)29/h1-13H,(H,24,25,26) |
| InChIK | BISYORYDYANBMY-UHFFFAOYSA-N |
| TotalMolweight | 403.828 |
| Molweight | 403.828 |
| MonoisotopicMass | 403.083602 |
| CLogP | 6.2734 |
| CLogS | -7.512 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 300.21 |
| Relative PSA | 0.25092 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -3.1042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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