1-(cyclopropylamino)-3-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxypropan-2-ol
Formula:C19H22N2O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-(cyclopropylamino)-3-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxypropan-2-ol is a drug-like molecule.
| MolName | 1-(cyclopropylamino)-3-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxypropan-2-ol |
| MolecularFormula | C19H22N2O2 |
| Smiles | OC(CNC1CC1)CO/N=C(\CC1)/c2c1c1ccccc1cc2 |
| InChI | InChI=1S/C19H22N2O2/c22-15(11-20-14-6-7-14)12-23-21-19-10-9-17-16-4-2-1-3-13(16)5-8-18(17)19/h1-5,8,14-15,20,22H,6-7,9-12H2/t15-/m0/s1 |
| InChIK | JENDHJCGTHYKDX-HNNXBMFYSA-N |
| TotalMolweight | 310.396 |
| Molweight | 310.396 |
| MonoisotopicMass | 310.168128 |
| CLogP | 3.3383 |
| CLogS | -5.024 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 239.2 |
| Relative PSA | 0.1926 |
| PolarSurfaceArea | 53.85 |
| Druglikeness | 3.7268 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 11 |
| Symmetricatoms | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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1 - 1-(cyclopropylamino)-3-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxypropan-2-ol | 2 - 1-(cyclopropylamino)-3-[(E)-1,2-dihydrocyclopenta[a]naphthalen-3-ylideneamino]oxypropan-2-ol
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