3-hydroxy-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide
Formula:C30H23N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-hydroxy-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide is not a drug-like molecule.
| MolName | 3-hydroxy-N-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]naphthalene-2-carboxamide |
| MolecularFormula | C30H23N3O2 |
| Smiles | Oc1cc2ccccc2cc1C(N/N=C\c(cc1)ccc1N(c1ccccc1)c1ccccc1)=O |
| InChI | InChI=1S/C30H23N3O2/c34-29-20-24-10-8-7-9-23(24)19-28(29)30(35)32-31-21-22-15-17-27(18-16-22)33(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-21,34H,(H,32,35) |
| InChIK | MLKTXKDLYQKYEJ-UHFFFAOYSA-N |
| TotalMolweight | 457.532 |
| Molweight | 457.532 |
| MonoisotopicMass | 457.179027 |
| CLogP | 6.6447 |
| CLogS | -9.207 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 357.76 |
| Relative PSA | 0.14719 |
| PolarSurfaceArea | 64.93 |
| Druglikeness | 5.0278 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.54286 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 28 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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