Molecule

ID:74900

General Information
Structure
MolImage
Molecular Formula
C₇H₁₆NO₇P
Molecular Mass
257.178201
Exact Mass
257.06643849
Charge
0
InChI
InChI=1S/C5H14NO3P.C2H2O4/c1-3-8-10(7,5-6)9-4-2;3-1(4)2(5)6/h3-6H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
OVHZWLGNOJBTDI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCP(=O)(OCC)OCC
Isomeric Smiles
OC(=O)C(=O)O.P(=O)(OCC)(OCC)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6606627
LogD (pH = 7.4)
-0.97101885
Log P
0.0675438
Molar Refractivity
38.9573
Polarizability
16.208685
Polar Surface Area
61.55
Rotatable Bonds
6
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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