Molecule

ID:103941

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆NO₅P
Molecular Mass
225.179401
Exact Mass
225.07660925
Charge
0
InChI
InChI=1S/C7H16NO5P/c8-6(7(9)10)4-2-1-3-5-14(11,12)13/h6H,1-5,8H2,(H,9,10)(H2,11,12,13)
InChIKey
MYDMWESTDPJANS-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)O)CCCCCP(=O)(O)O
Isomeric Smiles
NC(CCCCCP(=O)(O)O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.7063975
H Acceptors
6
H Donor
4
LogD (pH = 5.5)
-4.92509
LogD (pH = 7.4)
-5.7140527
Log P
-2.3499289
Molar Refractivity
49.7935
Polarizability
20.06227
Polar Surface Area
120.85
Rotatable Bonds
7
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
References
Bioactivity
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