Molecule

ID:2193

General Information
Structure
Molecular Formula
C₁₅H₃₃O₂P
Molecular Mass
276.395081
Exact Mass
276.22181693
Charge
0
InChI
InChI=1S/C15H33O2P/c1-3-5-7-8-9-10-11-12-13-15-18(16)17-14-6-4-2/h18H,3-15H2,1-2H3
InChIKey
QCBLJDSWVGAXQB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCP(=O)OCCCC
Isomeric Smiles
C(CCCCCCCCCC)P(=O)OCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.7945
LogD (pH = 7.4)
4.7945
Log P
4.7945
Molar Refractivity
80.3067
Polarizability
32.325645
Polar Surface Area
26.3
Rotatable Bonds
14
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
6.08
LOG S
-6.18
Solubility (Water)
1.83e-04 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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