Molecule

ID:68412

General Information
Structure
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c6-5-2-1-3-7-4-5/h5-6H,1-4H2
InChIKey
BHDLTOUYJMTTTM-UHFFFAOYSA-N
Canonic Smiles
OC1CCCOC1
Isomeric Smiles
C1C(CCCO1)O
Calculated Properties
JChem
Acid pKa
14.464174
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.09998804
LogD (pH = 7.4)
-0.09998808
Log P
-0.09998804
Molar Refractivity
26.516
Polarizability
10.544464
Polar Surface Area
29.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation