Molecule

ID:107725

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀NO₄P
Molecular Mass
191.121661
Exact Mass
191.03474444
Charge
0
InChI
InChI=1S/C6H7N.H3O4P/c7-6-4-2-1-3-5-6;1-5(2,3)4/h1-5H,7H2;(H3,1,2,3,4)
InChIKey
JAZCSWFKVAHBLR-UHFFFAOYSA-N
Canonic Smiles
OP(=O)(O)O.Nc1ccccc1
Isomeric Smiles
OP(=O)(O)O.Nc1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0882844
LogD (pH = 7.4)
1.143567
Log P
1.1443199
Molar Refractivity
30.758398
Polarizability
11.497764
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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