Molecule

ID:110323

General Information
Structure
Molecular Formula
C₉H₁₆
Molecular Mass
124.22334
Exact Mass
124.12520051
Charge
0
InChI
InChI=1S/C9H16/c1-2-5-9-7-3-6-8(9)4-1/h8-9H,1-7H2
InChIKey
BNRNAKTVFSZAFA-UHFFFAOYSA-N
Canonic Smiles
C1CCC2C(C1)CCC2
Isomeric Smiles
C1CCC2CCCC2C1
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
16.07
Molar Refractivity
39.50
LOG S
-4.16
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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