3,5-dichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridin-2-amine
Formula:C16H16N4OCl2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
3,5-dichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridin-2-amine is not a drug-like molecule.
| MolName | 3,5-dichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C16H16N4OCl2 |
| Smiles | Clc1cc(Cl)c(N/N=C\c(cc2)ccc2N2CCOCC2)nc1 |
| InChI | InChI=1S/C16H16Cl2N4O/c17-13-9-15(18)16(19-11-13)21-20-10-12-1-3-14(4-2-12)22-5-7-23-8-6-22/h1-4,9-11H,5-8H2,(H,19,21) |
| InChIK | VYQUCSJGFADIFM-UHFFFAOYSA-N |
| TotalMolweight | 351.236 |
| Molweight | 351.236 |
| MonoisotopicMass | 350.070115 |
| CLogP | 5.0724 |
| CLogS | -4.454 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.68 |
| Relative PSA | 0.18218 |
| PolarSurfaceArea | 49.75 |
| Druglikeness | 3.3122 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| Aromatic Amines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 3,5-dichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridin-2-amine | 2 - 3,5-dichloro-N-[(Z)-(4-morpholin-4-ylphenyl)methylideneamino]pyridin-2-amine
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