(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine
Formula:C14H19NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine is a drug-like molecule.
| MolName | (E)-N-(oxolan-2-ylmethyl)-3-phenylprop-2-en-1-amine |
| MolecularFormula | C14H19NO |
| Smiles | C(C1OCCC1)NC/C=C/c1ccccc1 |
| InChI | InChI=1S/C14H19NO/c1-2-6-13(7-3-1)8-4-10-15-12-14-9-5-11-16-14/h1-4,6-8,14-15H,5,9-12H2/t14-/m1/s1 |
| InChIK | GCEKGRFKIOBVDD-CQSZACIVSA-N |
| TotalMolweight | 217.311 |
| Molweight | 217.311 |
| MonoisotopicMass | 217.146664 |
| CLogP | 2.077 |
| CLogS | -2.694 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 189.02 |
| Relative PSA | 0.11353 |
| PolarSurfaceArea | 21.26 |
| Druglikeness | -0.80474 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
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