Molecule

ID:126443

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆O
Molecular Mass
152.23344
Exact Mass
152.12011513
Charge
0
InChI
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,9-11H,1,5-6H2,2-3H3
InChIKey
BAVONGHXFVOKBV-UHFFFAOYSA-N
Canonic Smiles
CC(=C)C1CC=C(C(C1)O)C
Isomeric Smiles
CC(=C)C1CC=C(C)C(O)C1
Calculated Properties
JChem
LogD (pH = 7.4)
1.99
LogD (pH = 5.5)
1.99
Log P
1.99
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.40
Polar Surface Area
20.23
Polarizability
17.97
Molar Refractivity
48.00
LOG S
-1.75
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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