Molecule

ID:4074

General Information
Structure
Molecular Formula
C₁₀H₁₈
Molecular Mass
138.24992
Exact Mass
138.14085058
Charge
0
InChI
InChI=1S/C10H18/c1-9(2)8-4-6-10(9,3)7-5-8/h8H,4-7H2,1-3H3/t8-,10+
InChIKey
BEWYHVAWEKZDPP-WAAGHKOSSA-N
Canonic Smiles
CC1(C)[C@@H]2CC[C@@]1(C)CC2
Isomeric Smiles
CC1(C)[C@H]2CC[C@]1(C)CC2
Calculated Properties
JChem
LogD (pH = 7.4)
3.22
LogD (pH = 5.5)
3.22
Log P
3.22
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
17.59
Molar Refractivity
43.80
LOG S
-3.93
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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