Molecule

ID:3629

General Information
Structure
Molecular Formula
C₄H₁₁O₃P
Molecular Mass
138.102101
Exact Mass
138.04458084
Charge
0
InChI
InChI=1S/C4H11O3P/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7)
InChIKey
UOKRBSXOBUKDGE-UHFFFAOYSA-N
Canonic Smiles
CCCCP(=O)(O)O
Isomeric Smiles
CCCCP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.28
LogD (pH = 5.5)
-2.21
Log P
0.08
Rotatable Bonds
3
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.81
Polar Surface Area
57.53
Polarizability
12.74
Molar Refractivity
31.18
LOG S
0.71
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation