benzyl-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium
Formula:C20H22NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
benzyl-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium is a drug-like molecule.
| MolName | benzyl-[(3S)-3-(furan-2-yl)-3-phenylpropyl]azanium |
| MolecularFormula | C20H22NO |
| Smiles | C(C[NH2+]Cc1ccccc1)[C@H](c1ccco1)c1ccccc1 |
| InChI | InChI=1S/C20H21NO/c1-3-8-17(9-4-1)16-21-14-13-19(20-12-7-15-22-20)18-10-5-2-6-11-18/h1-12,15,19,21H,13-14,16H2/p+1/t19-/m0/s1 |
| InChIK | YBWYZQHHMSUWKV-IBGZPJMESA-O |
| TotalMolweight | 292.401 |
| Molweight | 292.401 |
| MonoisotopicMass | 292.170139 |
| CLogP | 2.8102 |
| CLogS | -4.028 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 243.99 |
| Relative PSA | 0.089553 |
| PolarSurfaceArea | 29.75 |
| Druglikeness | -0.95182 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | this enantiomer |
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