Molecule

ID:5848

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₇O₃P
Molecular Mass
250.314741
Exact Mass
250.16978135
Charge
0
InChI
InChI=1S/C12H27O3P/c1-3-4-5-6-7-8-9-10-11-12-16(13,14)15-2/h3-12H2,1-2H3,(H,13,14)
InChIKey
JBVUSHKPEBKWQP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCC[P@@](=O)(OC)O
Isomeric Smiles
C(CCCCCCCCCC)[P@@](=O)(OC)O
Calculated Properties
JChem
Acid pKa
1.956364
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2901622
LogD (pH = 7.4)
1.2661833
Log P
3.5716906
Molar Refractivity
67.8647
Polarizability
27.250963
Polar Surface Area
46.53
Rotatable Bonds
11
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
3.89
LOG S
-3.23
Solubility (Water)
1.49e-01 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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