Molecule
ID:111112
General Information
Molecular Formula
C₃H₁₀NO₅P
Molecular Mass
171.088961
Exact Mass
171.02965906
Charge
0
InChI
InChI=1S/C3H10NO5P/c4-3(1-5)2-9-10(6,7)8/h3,5H,1-2,4H2,(H2,6,7,8)
InChIKey
WDWYJNPKBKWDBL-UHFFFAOYSA-N
Canonic Smiles
OCC(COP(=O)(O)O)N
Isomeric Smiles
NC(CO)COP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.5299445
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-3.1153936
LogD (pH = 7.4)
-3.9697886
Log P
-3.0816271
Molar Refractivity
33.0465
Polarizability
13.631341
Polar Surface Area
113.01
Rotatable Bonds
4
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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