Molecule

ID:83633

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₉O₄P
Molecular Mass
258.250621
Exact Mass
258.10209572
Charge
0
InChI
InChI=1S/C12H19O4P/c1-5-10-6-8-11(9-7-10)12(2,13)17(14,15-3)16-4/h6-9,13H,5H2,1-4H3
InChIKey
CRRWWDNAWWSEBS-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)C(P(=O)(OC)OC)(O)C
Isomeric Smiles
P(=O)(C(c1ccc(cc1)CC)(O)C)(OC)OC
Calculated Properties
JChem
Acid pKa
11.651595
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.7290373
LogD (pH = 7.4)
2.7290132
Log P
2.7290375
Molar Refractivity
66.8205
Polarizability
26.603678
Polar Surface Area
55.76
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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