[(E)-[amino-(4-chlorophenyl)methylidene]amino] N-cyclohexylcarbamate
Formula:C14H18N3O2Cl
Mutagenic:low
Tumorigenic:low
Reproductive Effective:none
[(E)-[amino-(4-chlorophenyl)methylidene]amino] N-cyclohexylcarbamate is a drug-like molecule.
| MolName | [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-cyclohexylcarbamate |
| MolecularFormula | C14H18N3O2Cl |
| Smiles | N/C(/c(cc1)ccc1Cl)=N/OC(NC1CCCCC1)=O |
| InChI | InChI=1S/C14H18ClN3O2/c15-11-8-6-10(7-9-11)13(16)18-20-14(19)17-12-4-2-1-3-5-12/h6-9,12H,1-5H2,(H2,16,18)(H,17,19) |
| InChIK | ROLHKLCBTHIGLB-UHFFFAOYSA-N |
| TotalMolweight | 295.769 |
| Molweight | 295.769 |
| MonoisotopicMass | 295.108754 |
| CLogP | 3.519 |
| CLogS | -4.855 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 227.18 |
| Relative PSA | 0.26974 |
| PolarSurfaceArea | 76.71 |
| Druglikeness | -14.485 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-cyclohexylcarbamate | 2 - [(E)-[amino-(4-chlorophenyl)methylidene]amino] N-cyclohexylcarbamate
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