Molecule

ID:85847

General Information
Structure
MolImage
Molecular Formula
C₇H₁₂O₃
Molecular Mass
144.16838
Exact Mass
144.07864424
Charge
0
InChI
InChI=1S/C7H12O3/c1-7(9-3)5-4-6(8-2)10-7/h4-6H,1-3H3
InChIKey
ODARVONGEVVSAG-UHFFFAOYSA-N
Canonic Smiles
COC1C=CC(O1)(C)OC
Isomeric Smiles
O1C(C=CC1OC)(OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.286108
LogD (pH = 7.4)
1.286108
Log P
1.286108
Molar Refractivity
37.9461
Polarizability
14.75781
Polar Surface Area
27.69
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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