Molecule

ID:63355

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c6-3-5-1-2-7-4-5/h5-6H,1-4H2
InChIKey
PCPUMGYALMOCHF-UHFFFAOYSA-N
Canonic Smiles
OCC1COCC1
Isomeric Smiles
C1(CO)COCC1
Calculated Properties
JChem
Acid pKa
15.394866
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49980217
LogD (pH = 7.4)
-0.49980217
Log P
-0.49980217
Molar Refractivity
26.855
Polarizability
10.544464
Polar Surface Area
29.46
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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