Molecule

ID:65939

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O₄
Molecular Mass
200.23164
Exact Mass
200.10485899
Charge
0
InChI
InChI=1S/C10H16O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+
InChIKey
LNGAGQAGYITKCW-OCAPTIKFSA-N
Canonic Smiles
COC(=O)[C@@H]1CC[C@@H](CC1)C(=O)OC
Isomeric Smiles
[C@@H]1(CC[C@H](CC1)C(=O)OC)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4046891
LogD (pH = 7.4)
1.4046891
Log P
1.4046891
Molar Refractivity
49.624
Polarizability
20.010502
Polar Surface Area
52.6
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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