Homatropin
PubChem CID: 5702065
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| Compound Synonyms | HOMATROPINE, Homatropin, Homoatropine, Homotropine, Mandelytropeine, Spectrum_000871, Spectrum2_000979, Spectrum3_000453, Spectrum4_000003, Spectrum5_000798, BSPBio_002126, KBioGR_000345, KBioSS_001351, DivK1c_000026, SPBio_001017, CHEMBL5484272, CHEBI:91515, KBio1_000026, KBio2_001351, KBio2_003919, KBio2_006487, KBio3_001346, NINDS_000026, IDI1_000026, NCGC00178805-01, SBI-0051405.P003, AB01563264_01, BRD-A09539288-004-02-8, BRD-A09539288-004-03-6, BRD-A09539288-004-04-4, Q27163351, [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenyl-acetate, 2-hydroxy-2-phenylacetic acid [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] ester |
|---|---|
| Topological Polar Surface Area | 49.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 340.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [(5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate |
| Prediction Hob | 1.0 |
| Xlogp | 1.9 |
| Molecular Formula | C16H21NO3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZTVIKZXZYLEVOL-NAOUJUTFSA-N |
| Fcsp3 | 0.5625 |
| Logs | -1.509 |
| Rotatable Bond Count | 4.0 |
| Logd | 0.9 |
| Compound Name | Homatropin |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 275.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 275.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 275.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7210575999999995 |
| Inchi | InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13?,14?,15?/m0/s1 |
| Smiles | CN1[C@H]2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Linum Usitatissimum (Plant) Rel Props:Source_db:cmaup_ingredients