Molecule
ID:84967
General Information
Molecular Formula
C₇H₁₂O₂
Molecular Mass
128.16898
Exact Mass
128.08372962
Charge
0
InChI
InChI=1S/C7H12O2/c8-6-4-1-2-5(3-4)7(6)9/h4-9H,1-3H2
InChIKey
HNMVZUWXQLASRL-UHFFFAOYSA-N
Canonic Smiles
OC1C2CCC(C1O)C2
Isomeric Smiles
OC1C(C2CC1CC2)O
Calculated Properties
JChem
Acid pKa
13.655046
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.027440937
LogD (pH = 7.4)
0.0274407
Log P
0.027440941
Molar Refractivity
33.177
Polarizability
13.422073
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...