2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
Formula:C19H13N5O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one |
| MolecularFormula | C19H13N5O4 |
| Smiles | [O-][N+](c1ccc(/C=N\NC(N2c3ccccc3)=Nc(cccc3)c3C2=O)o1)=O |
| InChI | InChI=1S/C19H13N5O4/c25-18-15-8-4-5-9-16(15)21-19(23(18)13-6-2-1-3-7-13)22-20-12-14-10-11-17(28-14)24(26)27/h1-12H,(H,21,22) |
| InChIK | HEWGEUUTHHTMDV-UHFFFAOYSA-N |
| TotalMolweight | 375.343 |
| Molweight | 375.343 |
| MonoisotopicMass | 375.096755 |
| CLogP | 3.092 |
| CLogS | -6.464 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 279.88 |
| Relative PSA | 0.34157 |
| PolarSurfaceArea | 116.02 |
| Druglikeness | 2.7957 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one | 2 - 2-[(2Z)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
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