[4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
Formula:C23H20N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate |
| MolecularFormula | C23H20N2O4S |
| Smiles | C=CCc(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c1cccs1)=O)=O |
| InChI | InChI=1S/C23H20N2O4S/c1-2-6-18-7-3-4-8-20(18)28-16-22(26)25-24-15-17-10-12-19(13-11-17)29-23(27)21-9-5-14-30-21/h2-5,7-15H,1,6,16H2,(H,25,26) |
| InChIK | CCKHPZBSNKJDOW-UHFFFAOYSA-N |
| TotalMolweight | 420.488 |
| Molweight | 420.488 |
| MonoisotopicMass | 420.114378 |
| CLogP | 5.102 |
| CLogS | -5.693 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 332.5 |
| Relative PSA | 0.2689 |
| PolarSurfaceArea | 105.23 |
| Druglikeness | 3.2043 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 10 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate | 2 - [4-[(Z)-[[2-(2-prop-2-enylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
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