3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoxalin-2-amine
Formula:C21H15N4OCl
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoxalin-2-amine is not a drug-like molecule.
| MolName | 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoxalin-2-amine |
| MolecularFormula | C21H15N4OCl |
| Smiles | Clc1nc2ccccc2nc1N/N=C\c1cc(Oc2ccccc2)ccc1 |
| InChI | InChI=1S/C21H15ClN4O/c22-20-21(25-19-12-5-4-11-18(19)24-20)26-23-14-15-7-6-10-17(13-15)27-16-8-2-1-3-9-16/h1-14H,(H,25,26) |
| InChIK | ODXIDAZFLNWHAX-UHFFFAOYSA-N |
| TotalMolweight | 374.83 |
| Molweight | 374.83 |
| MonoisotopicMass | 374.093438 |
| CLogP | 6.7289 |
| CLogS | -6.276 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.54 |
| Relative PSA | 0.19163 |
| PolarSurfaceArea | 59.4 |
| Druglikeness | 2.0392 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoxalin-2-amine | 2 - 3-chloro-N-[(Z)-(3-phenoxyphenyl)methylideneamino]quinoxalin-2-amine
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