N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide
Formula:C30H23N2O2Br
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[3-bromo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-naphthalen-1-ylacetamide |
| MolecularFormula | C30H23N2O2Br |
| Smiles | O=C(Cc1cccc2ccccc12)N/N=C\c(cc1)cc(Br)c1OCc1cccc2ccccc12 |
| InChI | InChI=1S/C30H23BrN2O2/c31-28-17-21(15-16-29(28)35-20-25-12-6-10-23-8-2-4-14-27(23)25)19-32-33-30(34)18-24-11-5-9-22-7-1-3-13-26(22)24/h1-17,19H,18,20H2,(H,33,34) |
| InChIK | DTDXSDODVIXMSG-UHFFFAOYSA-N |
| TotalMolweight | 523.429 |
| Molweight | 523.429 |
| MonoisotopicMass | 522.094289 |
| CLogP | 7.6618 |
| CLogS | -9.073 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 372.1 |
| Relative PSA | 0.12365 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | 2.2186 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| StereoCon |
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