Molecule

ID:131499

General Information
Structure
MolImage
Molecular Formula
C₃H₈O
Molecular Mass
62.08756199
Exact Mass
62.06075687
Charge
0
InChI
InChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3/i3+2
InChIKey
BDERNNFJNOPAEC-YZRHJBSPSA-N
Canonic Smiles
CC[14CH2]O
Isomeric Smiles
CC[14CH2]O
Calculated Properties
JChem
Acid pKa
16.84662
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.36075327
LogD (pH = 7.4)
0.36075327
Log P
0.36075327
Molar Refractivity
17.5339
Polarizability
6.874204
Polar Surface Area
20.23
Rotatable Bonds
1
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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