Molecule

ID:112669

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈
Molecular Mass
126.23922
Exact Mass
126.14085058
Charge
0
InChI
InChI=1S/C9H18/c1-4-5-6-7-8-9(2)3/h8H,4-7H2,1-3H3
InChIKey
YBOZNTGUYASNRA-UHFFFAOYSA-N
Canonic Smiles
CCCCCC=C(C)C
Isomeric Smiles
CCCCCC=C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.9017148
LogD (pH = 7.4)
3.9017148
Log P
3.9017148
Molar Refractivity
44.0088
Polarizability
17.142464
Polar Surface Area
0.0
Rotatable Bonds
4
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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