[4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
Formula:C24H18N2O3S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[(2-thiophen-2-ylacetyl)hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C24H18N2O3S |
| Smiles | O=C(Cc1cccs1)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C24H18N2O3S/c27-23(15-20-7-4-14-30-20)26-25-16-17-10-12-19(13-11-17)29-24(28)22-9-3-6-18-5-1-2-8-21(18)22/h1-14,16H,15H2,(H,26,27) |
| InChIK | WABTYLIVQADVPM-UHFFFAOYSA-N |
| TotalMolweight | 414.484 |
| Molweight | 414.484 |
| MonoisotopicMass | 414.103813 |
| CLogP | 5.6912 |
| CLogS | -6.772 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 318.8 |
| Relative PSA | 0.24909 |
| PolarSurfaceArea | 96 |
| Druglikeness | 5.9563 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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