Molecule

ID:2731

General Information
Structure
MolImage
Molecular Formula
C₂H₆NO₆P
Molecular Mass
171.045901
Exact Mass
170.99327355
Charge
0
InChI
InChI=1S/C2H6NO6P/c4-2(3-5)1-9-10(6,7)8/h5H,1H2,(H,3,4)(H2,6,7,8)
InChIKey
BAXHHWZKQZIJID-UHFFFAOYSA-N
Canonic Smiles
ONC(=O)COP(=O)(O)O
Isomeric Smiles
ONC(=O)COP(=O)(O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-5.44
LogD (pH = 5.5)
-4.40
Log P
-1.97
Rotatable Bonds
3
H Donor
4
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.32
Polar Surface Area
116.09
Polarizability
11.97
Molar Refractivity
28.81
LOG S
1.54
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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