Molecule

ID:136332

General Information
Structure
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Molecular Formula
C₂H₈NO₄P
Molecular Mass
141.062981
Exact Mass
141.01909437
Charge
0
InChI
InChI=1S/C2H8NO4P/c3-1-2-7-8(4,5)6/h1-3H2,(H2,4,5,6)
InChIKey
SUHOOTKUPISOBE-UHFFFAOYSA-N
Canonic Smiles
NCCOP(=O)(O)O
Isomeric Smiles
C(COP(=O)(O)O)N
Calculated Properties
JChem
Acid pKa
1.5391794
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.484334
LogD (pH = 7.4)
-3.3307736
Log P
-2.4512987
Molar Refractivity
27.084
Polarizability
11.116988
Polar Surface Area
92.78
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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