Molecule

ID:103940

General Information
Structure
MolImage
Molecular Formula
C₅H₁₂NO₅P
Molecular Mass
197.126241
Exact Mass
197.04530912
Charge
0
InChI
InChI=1S/C5H12NO5P/c6-4(5(7)8)2-1-3-12(9,10)11/h4H,1-3,6H2,(H,7,8)(H2,9,10,11)
InChIKey
VOROEQBFPPIACJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CCCP(=O)(O)O)N
Isomeric Smiles
NC(CCCP(=O)(O)O)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-6.51
LogD (pH = 5.5)
-5.39
Log P
-3.12
Rotatable Bonds
5
H Donor
4
H Acceptors
6
Lipinski's Rule of Five
true
Acid pKa
1.77
Polar Surface Area
120.85
Polarizability
17.20
Molar Refractivity
40.59
LOG S
1.50
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
References
Bioactivity
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