Molecule

ID:3606

General Information
Structure
Molecular Formula
C₃H₉O₄P
Molecular Mass
140.074921
Exact Mass
140.0238454
Charge
0
InChI
InChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKey
QPPQHRDVPBTVEV-UHFFFAOYSA-N
Canonic Smiles
CC(OP(=O)(O)O)C
Isomeric Smiles
CC(C)OP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.93
LogD (pH = 5.5)
-2.25
Log P
0.13
Rotatable Bonds
2
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.78
Polar Surface Area
66.76
Polarizability
11.51
Molar Refractivity
28.30
LOG S
1.00
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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