1-[(4-chlorophenyl)methylamino]-3-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxypropan-2-ol
Formula:C20H19N2O3Cl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
1-[(4-chlorophenyl)methylamino]-3-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxypropan-2-ol is a drug-like molecule.
| MolName | 1-[(4-chlorophenyl)methylamino]-3-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxypropan-2-ol |
| MolecularFormula | C20H19N2O3Cl3 |
| Smiles | OC(CNCc(cc1)ccc1Cl)CO/N=C\C(COc(cc1)c2cc1Cl)=C2Cl |
| InChI | InChI=1S/C20H19Cl3N2O3/c21-15-3-1-13(2-4-15)8-24-10-17(26)12-28-25-9-14-11-27-19-6-5-16(22)7-18(19)20(14)23/h1-7,9,17,24,26H,8,10-12H2/t17-/m0/s1 |
| InChIK | JHYPUIPZEJEFFE-KRWDZBQOSA-N |
| TotalMolweight | 441.741 |
| Molweight | 441.741 |
| MonoisotopicMass | 440.046124 |
| CLogP | 4.2926 |
| CLogS | -4.199 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 318.81 |
| Relative PSA | 0.17587 |
| PolarSurfaceArea | 63.08 |
| Druglikeness | 3.9717 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | allyl/benzyl chloride |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 1-[(4-chlorophenyl)methylamino]-3-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxypropan-2-ol | 2 - 1-[(4-chlorophenyl)methylamino]-3-[(Z)-(4,6-dichloro-2H-chromen-3-yl)methylideneamino]oxypropan-2-ol
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