ethyl N-[(Z)-(3-methylphenyl)methylideneamino]carbamate
Formula:C11H14N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
ethyl N-[(Z)-(3-methylphenyl)methylideneamino]carbamate is a drug-like molecule.
| MolName | ethyl N-[(Z)-(3-methylphenyl)methylideneamino]carbamate |
| MolecularFormula | C11H14N2O2 |
| Smiles | CCOC(N/N=C\c1cc(C)ccc1)=O |
| InChI | InChI=1S/C11H14N2O2/c1-3-15-11(14)13-12-8-10-6-4-5-9(2)7-10/h4-8H,3H2,1-2H3,(H,13,14) |
| InChIK | HOYWMSMEQQDLIG-UHFFFAOYSA-N |
| TotalMolweight | 206.244 |
| Molweight | 206.244 |
| MonoisotopicMass | 206.105528 |
| CLogP | 2.7112 |
| CLogS | -3.51 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 175.51 |
| Relative PSA | 0.26215 |
| PolarSurfaceArea | 50.69 |
| Druglikeness | -2.1111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.73333 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| StereoCon |
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