Molecule

ID:74986

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇O₄P
Molecular Mass
256.234741
Exact Mass
256.08644565
Charge
0
InChI
InChI=1S/C12H17O4P/c1-15-17(14,16-2)10-12(13)9-8-11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3
InChIKey
ONYIBVIIOCEBIV-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(CC(=O)CCc1ccccc1)OC
Isomeric Smiles
P(=O)(OC)(OC)CC(=O)CCc1ccccc1
Calculated Properties
JChem
Acid pKa
11.385016
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1421735
LogD (pH = 7.4)
2.1421292
Log P
2.1421742
Molar Refractivity
65.4726
Polarizability
26.144167
Polar Surface Area
52.6
Rotatable Bonds
7
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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