Molecule

ID:74902

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀NO₇P
Molecular Mass
285.231361
Exact Mass
285.09773862
Charge
0
InChI
InChI=1S/C7H18NO3P.C2H2O4/c1-3-10-12(9,11-4-2)7-5-6-8;3-1(4)2(5)6/h3-8H2,1-2H3;(H,3,4)(H,5,6)
InChIKey
UHYZWFFFPJEMAS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)O.NCCCP(=O)(OCC)OCC
Isomeric Smiles
OC(=O)C(=O)O.P(=O)(OCC)(OCC)CCCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.310346
LogD (pH = 7.4)
-2.7570798
Log P
-0.112081885
Molar Refractivity
48.5788
Polarizability
19.85998
Polar Surface Area
61.55
Rotatable Bonds
8
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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