Molecule

ID:83013

General Information
Structure
Molecular Formula
C₈H₁₁O₃P
Molecular Mass
186.144901
Exact Mass
186.04458084
Charge
0
InChI
InChI=1S/C8H11O3P/c1-6-3-4-8(5-7(6)2)12(9,10)11/h3-5H,1-2H3,(H2,9,10,11)
InChIKey
URNJCFQYNKGNLX-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1C)P(=O)(O)O
Isomeric Smiles
P(=O)(c1cc(c(cc1)C)C)(O)O
Calculated Properties
JChem
Acid pKa
2.0617948
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8284856
LogD (pH = 7.4)
-1.1516277
Log P
1.4128
Molar Refractivity
47.3288
Polarizability
18.036379
Polar Surface Area
57.53
Rotatable Bonds
1
Lipinski's Rule of Five
true
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
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References
Bioactivity
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