Molecule

ID:128577

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈O
Molecular Mass
154.24932
Exact Mass
154.1357652
Charge
0
InChI
InChI=1S/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h5,7,11H,4,6,8H2,1-3H3/b10-7-
InChIKey
GLZPCOQZEFWAFX-YFHOEESVSA-N
Canonic Smiles
OC/C=C(\CCC=C(C)C)/C
Isomeric Smiles
OC/C=C(\CCC=C(C)C)/C
Calculated Properties
JChem
LogD (pH = 7.4)
2.50
LogD (pH = 5.5)
2.50
Log P
2.50
Rotatable Bonds
4
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
16.33
Polar Surface Area
20.23
Polarizability
19.39
Molar Refractivity
51.18
LOG S
-2.47
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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