Molecule

ID:79947

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₃
Molecular Mass
184.23224
Exact Mass
184.10994437
Charge
0
InChI
InChI=1S/C10H16O3/c1-13-10(12)8-4-6-2-3-7(8)9(11)5-6/h6-9,11H,2-5H2,1H3/t6?,7?,8-,9-/m0/s1
InChIKey
HFIRAHKXIVJIBZ-PEBLOWIWSA-N
Canonic Smiles
COC(=O)[C@H]1CC2CCC1[C@H](C2)O
Isomeric Smiles
O=C([C@@H]1C2[C@@H](O)CC(C1)CC2)OC
Calculated Properties
JChem
Acid pKa
14.912513
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.837598
LogD (pH = 7.4)
0.837598
Log P
0.837598
Molar Refractivity
47.5025
Polarizability
19.103893
Polar Surface Area
46.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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