Molecule

ID:74968

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀BrO₄P
Molecular Mass
293.051061
Exact Mass
291.95000743
Charge
0
InChI
InChI=1S/C9H10BrO4P/c1-13-15(12,14-2)9(11)7-3-5-8(10)6-4-7/h3-6H,1-2H3
InChIKey
QSFIDWDIXNEVSR-UHFFFAOYSA-N
Canonic Smiles
COP(=O)(C(=O)c1ccc(cc1)Br)OC
Isomeric Smiles
P(=O)(C(=O)c1ccc(cc1)Br)(OC)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2420523
LogD (pH = 7.4)
2.2420523
Log P
2.2420523
Molar Refractivity
59.4765
Polarizability
23.602715
Polar Surface Area
52.6
Rotatable Bonds
4
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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