Molecule

ID:136995

General Information
Structure
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Molecular Formula
C₃H₈
Molecular Mass
45.08827484
Exact Mass
45.06595509
Charge
0
InChI
InChI=1S/C3H8/c1-3-2/h3H2,1-2H3/i1+1
InChIKey
ATUOYWHBWRKTHZ-OUBTZVSYSA-N
Canonic Smiles
[13CH3]CC
Isomeric Smiles
CC[13CH3]
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.797432
LogD (pH = 7.4)
1.797432
Log P
1.797432
Molar Refractivity
15.6052
Polarizability
6.2897286
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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