2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
Formula:C21H14N4OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C21H14N4OCl2 |
| Smiles | O=C1N(c2ccccc2)C(N/N=C\c(cc2)cc(Cl)c2Cl)=Nc2c1cccc2 |
| InChI | InChI=1S/C21H14Cl2N4O/c22-17-11-10-14(12-18(17)23)13-24-26-21-25-19-9-5-4-8-16(19)20(28)27(21)15-6-2-1-3-7-15/h1-13H,(H,25,26) |
| InChIK | SAGGHBCPWAVATQ-UHFFFAOYSA-N |
| TotalMolweight | 409.275 |
| Molweight | 409.275 |
| MonoisotopicMass | 408.054465 |
| CLogP | 5.5509 |
| CLogS | -7.269 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 297.36 |
| Relative PSA | 0.17174 |
| PolarSurfaceArea | 57.06 |
| Druglikeness | 4.5297 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one | 2 - 2-[(2Z)-2-[(3,4-dichlorophenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
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