Molecule

ID:60138

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄O
Molecular Mass
208.33976
Exact Mass
208.18271539
Charge
0
InChI
InChI=1S/C14H24O/c1-2-13-6-11-5-12(7-13)9-14(8-11,10-13)3-4-15/h11-12,15H,2-10H2,1H3
InChIKey
ABXXDSJSUSJJJW-UHFFFAOYSA-N
Canonic Smiles
OCCC12CC3CC(C1)CC(C2)(C3)CC
Isomeric Smiles
C1C2CC3(CC1CC(C2)(C3)CC)CCO
Calculated Properties
JChem
Acid pKa
17.427402
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.9405894
LogD (pH = 7.4)
2.9405894
Log P
2.9405894
Molar Refractivity
62.2769
Polarizability
24.95578
Polar Surface Area
20.23
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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