Molecule

ID:40295

General Information
Structure
MolImage
Molecular Formula
C₉H₁₄O₄
Molecular Mass
186.20506
Exact Mass
186.08920893
Charge
0
InChI
InChI=1S/C9H14O4/c1-9(2)12-6-4-11-7(5-3-10-5)8(6)13-9/h5-8H,3-4H2,1-2H3
InChIKey
TZCGMHLATFFNHL-UHFFFAOYSA-N
Canonic Smiles
CC1(C)OC2C(O1)C(OC2)C1CO1
Isomeric Smiles
C12C(C3OC3)OCC1OC(O2)(C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.2958129
LogD (pH = 7.4)
0.2958129
Log P
0.2958129
Molar Refractivity
43.5904
Polarizability
17.980991
Polar Surface Area
40.22
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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