2,2,2-trichloro-1-[(Z)-[morpholin-4-yl(phenyl)methylidene]amino]ethanol
Formula:C13H15N2O2Cl3
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
2,2,2-trichloro-1-[(Z)-[morpholin-4-yl(phenyl)methylidene]amino]ethanol is a drug-like molecule.
| MolName | 2,2,2-trichloro-1-[(Z)-[morpholin-4-yl(phenyl)methylidene]amino]ethanol |
| MolecularFormula | C13H15N2O2Cl3 |
| Smiles | OC(C(Cl)(Cl)Cl)/N=C(/c1ccccc1)\N1CCOCC1 |
| InChI | InChI=1S/C13H15Cl3N2O2/c14-13(15,16)12(19)17-11(10-4-2-1-3-5-10)18-6-8-20-9-7-18/h1-5,12,19H,6-9H2/t12-/m0/s1 |
| InChIK | IVTFHECIZMPKIO-LBPRGKRZSA-N |
| TotalMolweight | 337.633 |
| Molweight | 337.633 |
| MonoisotopicMass | 336.019909 |
| CLogP | 2.6034 |
| CLogS | -2.697 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 233.59 |
| Relative PSA | 0.16336 |
| PolarSurfaceArea | 45.06 |
| Druglikeness | 2.0372 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.45 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - 2,2,2-trichloro-1-[(Z)-[morpholin-4-yl(phenyl)methylidene]amino]ethanol | 2 - 2,2,2-trichloro-1-[(Z)-[morpholin-4-yl(phenyl)methylidene]amino]ethanol
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