Molecule

ID:125377

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆
Molecular Mass
100.20194
Exact Mass
100.12520051
Charge
0
InChI
InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
InChIKey
AORMDLNPRGXHHL-UHFFFAOYSA-N
Canonic Smiles
CCC(CC)CC
Isomeric Smiles
CCC(CC)CC
Calculated Properties
JChem
LogD (pH = 7.4)
3.42
LogD (pH = 5.5)
3.42
Log P
3.42
Rotatable Bonds
3
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
13.97
Molar Refractivity
33.96
LOG S
-3.43
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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