Molecule

ID:112253

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄O
Molecular Mass
172.30766
Exact Mass
172.18271539
Charge
0
InChI
InChI=1S/C11H24O/c1-3-5-6-7-8-9-10-11(12)4-2/h11-12H,3-10H2,1-2H3
InChIKey
HCARCYFXWDRVBZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCC(CC)O
Isomeric Smiles
CCCCCCCCC(O)CC
Calculated Properties
JChem
Acid pKa
18.251219
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.9672627
LogD (pH = 7.4)
3.9672627
Log P
3.9672627
Molar Refractivity
54.0827
Polarizability
21.629404
Polar Surface Area
20.23
Rotatable Bonds
8
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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