Molecule

ID:1589

General Information
Structure
MolImage
Molecular Formula
C₃H₅O₆P
Molecular Mass
168.041961
Exact Mass
167.98237451
Charge
0
InChI
InChI=1S/C3H5O6P/c1-2(3(4)5)9-10(6,7)8/h1H2,(H,4,5)(H2,6,7,8)
InChIKey
DTBNBXWJWCWCIK-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=C)OP(=O)(O)O
Isomeric Smiles
OC(=O)C(=C)OP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-7.78
LogD (pH = 5.5)
-5.25
Log P
-0.64
Rotatable Bonds
3
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
0.76
Polar Surface Area
104.06
Polarizability
11.57
Molar Refractivity
30.13
LOG S
0.78
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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