[4-[(Z)-[[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
Formula:C30H19N4O5Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate |
| MolecularFormula | C30H19N4O5Cl |
| Smiles | [O-][N+](c1cccc(C(Oc2ccc(/C=N\NC(c3cc(-c(cc4)ccc4Cl)nc4ccccc34)=O)cc2)=O)c1)=O |
| InChI | InChI=1S/C30H19ClN4O5/c31-22-12-10-20(11-13-22)28-17-26(25-6-1-2-7-27(25)33-28)29(36)34-32-18-19-8-14-24(15-9-19)40-30(37)21-4-3-5-23(16-21)35(38)39/h1-18H,(H,34,36) |
| InChIK | PSRYGWBODPDQAW-UHFFFAOYSA-N |
| TotalMolweight | 550.957 |
| Molweight | 550.957 |
| MonoisotopicMass | 550.104398 |
| CLogP | 6.3827 |
| CLogS | -8.871 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 406.71 |
| Relative PSA | 0.24696 |
| PolarSurfaceArea | 126.47 |
| Druglikeness | -1.0349 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate | 2 - [4-[(Z)-[[2-(4-chlorophenyl)quinoline-4-carbonyl]hydrazinylidene]methyl]phenyl] 3-nitrobenzoate
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