Molecule

ID:53557

General Information
Structure
MolImage
Molecular Formula
C₆H₁₂
Molecular Mass
84.15948
Exact Mass
84.09390038
Charge
0
InChI
InChI=1S/C6H12/c1-3-5-6-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKey
ZQDPJFUHLCOCRG-AATRIKPKSA-N
Canonic Smiles
CC/C=C/CC
Isomeric Smiles
C(=C\CC)/CC
Calculated Properties
JChem
LogD (pH = 7.4)
2.77
LogD (pH = 5.5)
2.77
Log P
2.77
Rotatable Bonds
2
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
11.51
Molar Refractivity
30.52
LOG S
-2.70
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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