Molecule

ID:3537

General Information
Structure
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Molecular Formula
C₄H₁₀O
Molecular Mass
74.1216
Exact Mass
74.07316494
Charge
0
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3
InChIKey
DKGAVHZHDRPRBM-UHFFFAOYSA-N
Canonic Smiles
CC(O)(C)C
Isomeric Smiles
CC(C)(C)O
Calculated Properties
JChem
LogD (pH = 7.4)
0.54
LogD (pH = 5.5)
0.54
Log P
0.54
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.45
Polar Surface Area
20.23
Polarizability
8.94
Molar Refractivity
22.07
LOG S
0.17
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
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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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