Molecule

ID:110194

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-11H,1,4-6H2,2-3H3
InChIKey
ZYTMANIQRDEHIO-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(C(C1)O)C(=C)C
Isomeric Smiles
CC1CCC(C(O)C1)C(=C)C
Calculated Properties
JChem
Acid pKa
19.465338
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3166273
LogD (pH = 7.4)
2.3166273
Log P
2.3166273
Molar Refractivity
47.2228
Polarizability
18.809866
Polar Surface Area
20.23
Rotatable Bonds
1
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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