[3-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C24H17N2O4Br
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[3-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C24H17N2O4Br |
| Smiles | O=C(Cc(c1ccccc11)ccc1Br)N/N=C\c1cc(OC(c2ccco2)=O)ccc1 |
| InChI | InChI=1S/C24H17BrN2O4/c25-21-11-10-17(19-7-1-2-8-20(19)21)14-23(28)27-26-15-16-5-3-6-18(13-16)31-24(29)22-9-4-12-30-22/h1-13,15H,14H2,(H,27,28) |
| InChIK | HRAWQSJAQLZXES-UHFFFAOYSA-N |
| TotalMolweight | 477.313 |
| Molweight | 477.313 |
| MonoisotopicMass | 476.037169 |
| CLogP | 5.7385 |
| CLogS | -7.278 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 331.18 |
| Relative PSA | 0.22091 |
| PolarSurfaceArea | 80.9 |
| Druglikeness | 2.5104 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [3-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off