[(3Z)-3-(anilinomethylidene)-2-chlorocyclohexen-1-yl]methylidene-phenylazanium
Formula:C20H20N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(3Z)-3-(anilinomethylidene)-2-chlorocyclohexen-1-yl]methylidene-phenylazanium is a drug-like molecule.
| MolName | [(3Z)-3-(anilinomethylidene)-2-chlorocyclohexen-1-yl]methylidene-phenylazanium |
| MolecularFormula | C20H20N2Cl |
| Smiles | ClC(/C(/CCC1)=C\Nc2ccccc2)=C1/C=[NH+]/c1ccccc1 |
| InChI | InChI=1S/C20H19ClN2/c21-20-16(14-22-18-10-3-1-4-11-18)8-7-9-17(20)15-23-19-12-5-2-6-13-19/h1-6,10-15,22H,7-9H2/p+1 |
| InChIK | OQLQDSZUBLCILN-UHFFFAOYSA-O |
| TotalMolweight | 323.846 |
| Molweight | 323.846 |
| MonoisotopicMass | 323.1315 |
| CLogP | 4.0164 |
| CLogS | -5.003 |
| H Acceptors | 2 |
| H Donors | 2 |
| TotalSurfaceArea | 248.56 |
| Relative PSA | 0.046106 |
| PolarSurfaceArea | 26 |
| Druglikeness | -3.1757 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon |
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