Molecule

ID:106216

General Information
Structure
Loading...
Molecular Formula
C₄H₁₀O
Molecular Mass
74.1216
Exact Mass
74.07316494
Charge
0
InChI
InChI=1S/C4H10O/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChIKey
ZXEKIIBDNHEJCQ-UHFFFAOYSA-N
Canonic Smiles
OCC(C)C
Isomeric Smiles
CC(C)CO
Calculated Properties
JChem
LogD (pH = 7.4)
0.73
LogD (pH = 5.5)
0.73
Log P
0.73
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-1.78
Polar Surface Area
20.23
Polarizability
9.07
Molar Refractivity
22.01
LOG S
-0.16
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
Loading...
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...