N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide
Formula:C35H25N3O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide is not a drug-like molecule.
| MolName | N-[(Z)-(3-phenoxyphenyl)methylideneamino]-2-(4-phenylphenyl)quinoline-4-carboxamide |
| MolecularFormula | C35H25N3O2 |
| Smiles | O=C(c1cc(-c(cc2)ccc2-c2ccccc2)nc2ccccc12)N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C35H25N3O2/c39-35(38-36-24-25-10-9-15-30(22-25)40-29-13-5-2-6-14-29)32-23-34(37-33-17-8-7-16-31(32)33)28-20-18-27(19-21-28)26-11-3-1-4-12-26/h1-24H,(H,38,39) |
| InChIK | GKULCLQHEHBUMS-UHFFFAOYSA-N |
| TotalMolweight | 519.603 |
| Molweight | 519.603 |
| MonoisotopicMass | 519.194677 |
| CLogP | 8.3226 |
| CLogS | -10.588 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 409.63 |
| Relative PSA | 0.1391 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | 4.3193 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.575 |
| Fragments | 1 |
| Non HAtoms | 40 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 6 |
| Aromatic Atoms | 34 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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