Molecule

ID:80169

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉O₆P
Molecular Mass
256.148621
Exact Mass
256.01367464
Charge
0
InChI
InChI=1S/C10H9O6P/c1-6-4-10(11)15-9-5-7(2-3-8(6)9)16-17(12,13)14/h2-5H,1H3,(H2,12,13,14)
InChIKey
BCHIXGBGRHLSBE-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(C)c2c(o1)cc(cc2)OP(=O)(O)O
Isomeric Smiles
P(=O)(Oc1ccc2c(c1)oc(=O)cc2C)(O)O
Calculated Properties
JChem
Acid pKa
1.7821348
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2559819
LogD (pH = 7.4)
-1.98815
Log P
1.1253238
Molar Refractivity
58.6844
Polarizability
22.577282
Polar Surface Area
93.06
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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