[4-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C30H21N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[4-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C30H21N3O3 |
| Smiles | O=C(c1cc(-c2ccccc2)nc2ccccc12)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C30H21N3O3/c34-29(26-19-28(22-9-3-1-4-10-22)32-27-14-8-7-13-25(26)27)33-31-20-21-15-17-24(18-16-21)36-30(35)23-11-5-2-6-12-23/h1-20H,(H,33,34) |
| InChIK | JSUGQLUZVNFZNV-UHFFFAOYSA-N |
| TotalMolweight | 471.515 |
| Molweight | 471.515 |
| MonoisotopicMass | 471.158292 |
| CLogP | 6.6983 |
| CLogS | -7.675 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 367.62 |
| Relative PSA | 0.19047 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 3.9976 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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