6-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylquinazolin-2-amine
Formula:C21H14N5O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
6-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylquinazolin-2-amine is not a drug-like molecule.
| MolName | 6-chloro-N-[(Z)-(3-nitrophenyl)methylideneamino]-4-phenylquinazolin-2-amine |
| MolecularFormula | C21H14N5O2Cl |
| Smiles | [O-][N+](c1cccc(/C=N\Nc2nc(-c3ccccc3)c(cc(cc3)Cl)c3n2)c1)=O |
| InChI | InChI=1S/C21H14ClN5O2/c22-16-9-10-19-18(12-16)20(15-6-2-1-3-7-15)25-21(24-19)26-23-13-14-5-4-8-17(11-14)27(28)29/h1-13H,(H,24,25,26) |
| InChIK | DGGLJOQTIYZSDK-UHFFFAOYSA-N |
| TotalMolweight | 403.828 |
| Molweight | 403.828 |
| MonoisotopicMass | 403.083602 |
| CLogP | 6.3987 |
| CLogS | -6.891 |
| 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 | 0.51724 |
| 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 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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