Molecule

ID:112370

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀
Molecular Mass
82.1436
Exact Mass
82.07825032
Charge
0
InChI
InChI=1S/C6H10/c1-4-5-6(2)3/h4H,1-2,5H2,3H3
InChIKey
DRWYRROCDFQZQF-UHFFFAOYSA-N
Canonic Smiles
C=CCC(=C)C
Isomeric Smiles
CC(=C)CC=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.3219545
LogD (pH = 7.4)
2.3219545
Log P
2.3219545
Molar Refractivity
29.1774
Polarizability
11.380313
Polar Surface Area
0.0
Rotatable Bonds
2
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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