Molecule

ID:130920

General Information
Structure
MolImage
Molecular Formula
H₁₂N₃O₇P
Molecular Mass
197.084941
Exact Mass
197.04128637
Charge
0
InChI
InChI=1S/3H3NO.H3O4P/c3*1-2;1-5(2,3)4/h3*2H,1H2;(H3,1,2,3,4)
InChIKey
XBUFCZMOAHHGMX-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(O)O.ON.ON.ON
Isomeric Smiles
NO.NO.NO.OP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.7961261
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-3.3916447
LogD (pH = 7.4)
-3.9718332
Log P
-1.0201038
Molar Refractivity
14.6519
Polarizability
5.927813
Polar Surface Area
77.76
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
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Bioactivity
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