morpholin-4-ylmethyl N-[(Z)-(2-chlorophenyl)methylideneamino]carbamate
Formula:C13H16N3O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
morpholin-4-ylmethyl N-[(Z)-(2-chlorophenyl)methylideneamino]carbamate is a drug-like molecule.
| MolName | morpholin-4-ylmethyl N-[(Z)-(2-chlorophenyl)methylideneamino]carbamate |
| MolecularFormula | C13H16N3O3Cl |
| Smiles | O=C(N/N=C\c(cccc1)c1Cl)OCN1CCOCC1 |
| InChI | InChI=1S/C13H16ClN3O3/c14-12-4-2-1-3-11(12)9-15-16-13(18)20-10-17-5-7-19-8-6-17/h1-4,9H,5-8,10H2,(H,16,18) |
| InChIK | PICLQQLMTSOICP-UHFFFAOYSA-N |
| TotalMolweight | 297.741 |
| Molweight | 297.741 |
| MonoisotopicMass | 297.088019 |
| CLogP | 2.2552 |
| CLogS | -3.621 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 228.25 |
| Relative PSA | 0.26094 |
| PolarSurfaceArea | 63.16 |
| Druglikeness | 0.687 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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