[1-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate
Formula:C31H21N2O3F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[1-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [1-[(Z)-[[2-[3-(trifluoromethyl)phenyl]acetyl]hydrazinylidene]methyl]naphthalen-2-yl] naphthalene-1-carboxylate |
| MolecularFormula | C31H21N2O3F3 |
| Smiles | O=C(Cc1cccc(C(F)(F)F)c1)N/N=C\c(c1ccccc1cc1)c1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C31H21F3N2O3/c32-31(33,34)23-11-5-7-20(17-23)18-29(37)36-35-19-27-25-13-4-2-9-22(25)15-16-28(27)39-30(38)26-14-6-10-21-8-1-3-12-24(21)26/h1-17,19H,18H2,(H,36,37) |
| InChIK | FICOENFEIDDODW-UHFFFAOYSA-N |
| TotalMolweight | 526.513 |
| Molweight | 526.513 |
| MonoisotopicMass | 526.150427 |
| CLogP | 7.8673 |
| CLogS | -9.146 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 386.92 |
| Relative PSA | 0.15262 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | -3.161 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48718 |
| Fragments | 1 |
| Non HAtoms | 39 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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