(1S)-1-[4-(aminomethyl)phenyl]ethanol
PubChem CID: 28343937
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| Compound Synonyms | SCHEMBL7677443 |
|---|---|
| Topological Polar Surface Area | 46.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 11.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 108.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (1S)-1-[4-(aminomethyl)phenyl]ethanol |
| Prediction Hob | 1.0 |
| Xlogp | 0.3 |
| Molecular Formula | C9H13NO |
| Prediction Swissadme | 1.0 |
| Inchi Key | RIYYBTSTPIEMBD-ZETCQYMHSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | 0.36 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.121 |
| Compound Name | (1S)-1-[4-(aminomethyl)phenyl]ethanol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 151.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 151.1 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 151.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.2381321636363634 |
| Inchi | InChI=1S/C9H13NO/c1-7(11)9-4-2-8(6-10)3-5-9/h2-5,7,11H,6,10H2,1H3/t7-/m0/s1 |
| Smiles | C[C@@H](C1=CC=C(C=C1)CN)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rosa Transmorrisonensis (Plant) Rel Props:Source_db:cmaup_ingredients