Molecule

ID:87370

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄O
Molecular Mass
126.19616
Exact Mass
126.10446507
Charge
0
InChI
InChI=1S/C8H14O/c1-8(7-9)5-3-2-4-6-8/h7H,2-6H2,1H3
InChIKey
FXZFFVCJWZTTMX-UHFFFAOYSA-N
Canonic Smiles
O=CC1(C)CCCCC1
Isomeric Smiles
O=CC1(CCCCC1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2875545
LogD (pH = 7.4)
2.2875545
Log P
2.2875545
Molar Refractivity
37.4215
Polarizability
14.80832
Polar Surface Area
17.07
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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