Molecule

ID:90338

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄
Molecular Mass
98.18606
Exact Mass
98.10955045
Charge
0
InChI
InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
InChIKey
UAEPNZWRGJTJPN-UHFFFAOYSA-N
Canonic Smiles
CC1CCCCC1
Isomeric Smiles
CC1CCCCC1
Calculated Properties
JChem
LogD (pH = 7.4)
2.95
LogD (pH = 5.5)
2.95
Log P
2.95
Rotatable Bonds
0
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
13.03
Molar Refractivity
32.15
LOG S
-3.29
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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