Molecule

ID:74890

General Information
Structure
MolImage
Molecular Formula
C₉H₂₁O₃P
Molecular Mass
208.235001
Exact Mass
208.12283116
Charge
0
InChI
InChI=1S/C9H21O3P/c1-4-6-8-11-13(3,10)12-9-7-5-2/h4-9H2,1-3H3
InChIKey
NPNBLTJGRBYCJB-UHFFFAOYSA-N
Canonic Smiles
CCCCOP(=O)(OCCCC)C
Isomeric Smiles
P(=O)(OCCCC)(OCCCC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4143016
LogD (pH = 7.4)
2.4143016
Log P
2.4143016
Molar Refractivity
53.8898
Polarizability
21.993029
Polar Surface Area
35.53
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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