Molecule

ID:130944

General Information
Structure
MolImage
Molecular Formula
C₄H₁₂NO₆P
Molecular Mass
201.114941
Exact Mass
201.04022374
Charge
0
InChI
InChI=1S/C4H9NO2.H3O4P/c1-2-7-4(6)3-5;1-5(2,3)4/h2-3,5H2,1H3;(H3,1,2,3,4)
InChIKey
PIOOGGOULBRGIX-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(O)O.CCOC(=O)CN
Isomeric Smiles
CCOC(=O)CN.OP(=O)(O)O
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2299333
LogD (pH = 7.4)
-0.8175299
Log P
-0.64477354
Molar Refractivity
25.5211
Polarizability
10.418138
Polar Surface Area
52.32
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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