[(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate
Formula:C17H19N4O2Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:none
[(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate is a drug-like molecule.
| MolName | [(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate |
| MolecularFormula | C17H19N4O2Cl |
| Smiles | O=C(Nc(cc1)ccc1Cl)O/N=C1\C(Cn2cncc2)CCCC1 |
| InChI | InChI=1S/C17H19ClN4O2/c18-14-5-7-15(8-6-14)20-17(23)24-21-16-4-2-1-3-13(16)11-22-10-9-19-12-22/h5-10,12-13H,1-4,11H2,(H,20,23)/t13-/m1/s1 |
| InChIK | RAVRMCSMBCNRNQ-CYBMUJFWSA-N |
| TotalMolweight | 346.817 |
| Molweight | 346.817 |
| MonoisotopicMass | 346.119653 |
| CLogP | 3.7694 |
| CLogS | -4.16 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 266.38 |
| Relative PSA | 0.2397 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -6.5101 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - [(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate | 2 - [(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] N-(4-chlorophenyl)carbamate
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