Molecule

ID:112126

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆
Molecular Mass
136.23404
Exact Mass
136.12520051
Charge
0
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4H,5-7H2,1-3H3
InChIKey
MOYAFQVGZZPNRA-UHFFFAOYSA-N
Canonic Smiles
CC1=CCC(=C(C)C)CC1
Isomeric Smiles
CC1=CCC(=C(C)C)CC1
Calculated Properties
JChem
LogD (pH = 7.4)
3.12
LogD (pH = 5.5)
3.12
Log P
3.12
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
17.68
Molar Refractivity
47.29
LOG S
-2.96
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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