[(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] 4-chlorobenzoate
Formula:C17H18N3O2Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] 4-chlorobenzoate is a drug-like molecule.
| MolName | [(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] 4-chlorobenzoate |
| MolecularFormula | C17H18N3O2Cl |
| Smiles | O=C(c(cc1)ccc1Cl)O/N=C1\C(Cn2cncc2)CCCC1 |
| InChI | InChI=1S/C17H18ClN3O2/c18-15-7-5-13(6-8-15)17(22)23-20-16-4-2-1-3-14(16)11-21-10-9-19-12-21/h5-10,12,14H,1-4,11H2/t14-/m1/s1 |
| InChIK | ISDOZXHJPMBOCS-CQSZACIVSA-N |
| TotalMolweight | 331.802 |
| Molweight | 331.802 |
| MonoisotopicMass | 331.108754 |
| CLogP | 3.7755 |
| CLogS | -3.644 |
| H Acceptors | 5 |
| TotalSurfaceArea | 254.92 |
| Relative PSA | 0.20552 |
| PolarSurfaceArea | 56.48 |
| Druglikeness | -3.1405 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] 4-chlorobenzoate | 2 - [(Z)-[2-(imidazol-1-ylmethyl)cyclohexylidene]amino] 4-chlorobenzoate
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