Molecule

ID:106981

General Information
Structure
Loading...
Molecular Formula
C₁₀H₁₈
Molecular Mass
138.24992
Exact Mass
138.14085058
Charge
0
InChI
InChI=1S/C10H18/c1-2-6-10-8-4-3-7-9(10)5-1/h9-10H,1-8H2/t9-,10-
InChIKey
NNBZCPXTIHJBJL-MGCOHNPYSA-N
Canonic Smiles
C1CC[C@@H]2[C@@H](C1)CCCC2
Isomeric Smiles
[C@@H]12CCCC[C@H]1CCCC2
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.6668615
LogD (pH = 7.4)
3.6668615
Log P
3.6668615
Molar Refractivity
44.103
Polarizability
17.72628
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...