[2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate
Formula:C24H16N4O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate is a drug-like molecule.
| MolName | [2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate |
| MolecularFormula | C24H16N4O5 |
| Smiles | [O-][N+](c(cc1)ccc1C(Oc1c(/C=N\NC(c2nc3ccccc3cc2)=O)cccc1)=O)=O |
| InChI | InChI=1S/C24H16N4O5/c29-23(21-14-11-16-5-1-3-7-20(16)26-21)27-25-15-18-6-2-4-8-22(18)33-24(30)17-9-12-19(13-10-17)28(31)32/h1-15H,(H,27,29) |
| InChIK | LQAMSFBXYRXKPN-UHFFFAOYSA-N |
| TotalMolweight | 440.414 |
| Molweight | 440.414 |
| MonoisotopicMass | 440.112071 |
| CLogP | 4.0805 |
| CLogS | -6.381 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 331.53 |
| Relative PSA | 0.30296 |
| PolarSurfaceArea | 126.47 |
| Druglikeness | -1.0881 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate | 2 - [2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] 4-nitrobenzoate
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