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
Loading...
Molecular Spectra
Loading...
Molecule Details
Loading...
References
Loading...
Bioactivity
Loading...