Molecule

ID:112762

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄
Molecular Mass
98.18606
Exact Mass
98.10955045
Charge
0
InChI
InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3
InChIKey
XAZKFISIRYLAEE-UHFFFAOYSA-N
Canonic Smiles
CC1CCC(C1)C
Isomeric Smiles
CC1CCC(C)C1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7968814
LogD (pH = 7.4)
2.7968814
Log P
2.7968814
Molar Refractivity
32.1022
Polarizability
12.929294
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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