N-[(Z)-[2-chloro-3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline
Formula:C20H19N2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-chloro-3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline is a drug-like molecule.
| MolName | N-[(Z)-[2-chloro-3-(phenyliminomethyl)cyclohex-2-en-1-ylidene]methyl]aniline |
| MolecularFormula | C20H19N2Cl |
| Smiles | ClC(/C(/CCC1)=C\Nc2ccccc2)=C1/C=N/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 |
| InChIK | OQLQDSZUBLCILN-UHFFFAOYSA-N |
| TotalMolweight | 322.838 |
| Molweight | 322.838 |
| MonoisotopicMass | 322.123675 |
| CLogP | 3.8555 |
| CLogS | -5.003 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 260.07 |
| Relative PSA | 0.088322 |
| PolarSurfaceArea | 24.39 |
| Druglikeness | -2.1868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride; imine/hydrazone of aldehyde |
| 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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