Molecule

ID:74997

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁O₃P
Molecular Mass
186.144901
Exact Mass
186.04458084
Charge
0
InChI
InChI=1S/C8H11O3P/c1-7-3-2-4-8(5-7)6-12(9,10)11/h2-5H,6H2,1H3,(H2,9,10,11)
InChIKey
YSZXYVIDVAUMLH-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)CP(=O)(O)O
Isomeric Smiles
P(=O)(O)(O)Cc1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
1.7334348
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2469932
LogD (pH = 7.4)
-1.3205377
Log P
1.044932
Molar Refractivity
46.9556
Polarizability
18.1388
Polar Surface Area
57.53
Rotatable Bonds
2
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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