Molecule

ID:68647

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄NO₅P
Molecular Mass
211.152821
Exact Mass
211.06095918
Charge
0
InChI
InChI=1S/C6H14NO5P/c1-11-13(10,12-2)4-3-6(9)7-5-8/h8H,3-5H2,1-2H3,(H,7,9)
InChIKey
MCONGYNHPPCHSD-UHFFFAOYSA-N
Canonic Smiles
OCNC(=O)CCP(=O)(OC)OC
Isomeric Smiles
C(=O)(CCP(=O)(OC)OC)NCO
Calculated Properties
JChem
Acid pKa
12.360074
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.3662348
LogD (pH = 7.4)
-1.3662391
Log P
-1.3662348
Molar Refractivity
44.8711
Polarizability
18.52665
Polar Surface Area
84.86
Rotatable Bonds
6
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
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Molecule Details
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References
Bioactivity
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