Molecule

ID:111774

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈
Molecular Mass
138.24992
Exact Mass
138.14085058
Charge
0
InChI
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7H,6,8H2,1-4H3
InChIKey
MZPDTOMKQCMETI-UHFFFAOYSA-N
Canonic Smiles
C/C=C(/CCC=C(C)C)\C
Isomeric Smiles
C/C=C(\C)/CCC=C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7831545
LogD (pH = 7.4)
3.7831545
Log P
3.7831545
Molar Refractivity
49.4074
Polarizability
18.763096
Polar Surface Area
0.0
Rotatable Bonds
3
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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