Molecule

ID:77514

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄O₂
Molecular Mass
130.18486
Exact Mass
130.09937969
Charge
0
InChI
InChI=1S/C7H14O2/c8-4-1-7-2-5-9-6-3-7/h7-8H,1-6H2
InChIKey
XZXZZACRGBBWTQ-UHFFFAOYSA-N
Canonic Smiles
OCCC1CCOCC1
Isomeric Smiles
O1CCC(CC1)CCO
Calculated Properties
JChem
Acid pKa
17.086525
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26982468
LogD (pH = 7.4)
0.2698247
Log P
0.2698247
Molar Refractivity
36.2328
Polarizability
14.211557
Polar Surface Area
29.46
Rotatable Bonds
2
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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