[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate
Formula:C23H16N2O3S
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
[4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] naphthalene-1-carboxylate |
| MolecularFormula | C23H16N2O3S |
| Smiles | O=C(c1cccs1)N/N=C\c(cc1)ccc1OC(c1cccc2ccccc12)=O |
| InChI | InChI=1S/C23H16N2O3S/c26-22(21-9-4-14-29-21)25-24-15-16-10-12-18(13-11-16)28-23(27)20-8-3-6-17-5-1-2-7-19(17)20/h1-15H,(H,25,26) |
| InChIK | NANXAGFJUKJGAY-UHFFFAOYSA-N |
| TotalMolweight | 400.457 |
| Molweight | 400.457 |
| MonoisotopicMass | 400.088163 |
| CLogP | 5.6931 |
| CLogS | -6.807 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.04 |
| Relative PSA | 0.26033 |
| PolarSurfaceArea | 96 |
| Druglikeness | 5.9413 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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