Molecule

ID:128696

General Information
Structure
MolImage
Molecular Formula
C₁₈H₃₉O₃P
Molecular Mass
334.474221
Exact Mass
334.26368174
Charge
0
InChI
InChI=1S/C18H39O3P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21/h2-18H2,1H3,(H2,19,20,21)
InChIKey
FTMKAMVLFVRZQX-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCCCCCCCP(=O)(O)O
Isomeric Smiles
CCCCCCCCCCCCCCCCCCP(=O)(O)O
Calculated Properties
JChem
Acid pKa
1.810562
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.6768513
LogD (pH = 7.4)
3.6082046
Log P
5.965865
Molar Refractivity
95.5894
Polarizability
38.033096
Polar Surface Area
57.53
Rotatable Bonds
17
Lipinski's Rule of Five
false
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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