Molecule

ID:88796

General Information
Structure
MolImage
Molecular Formula
C₇H₄BCl₂O₂
Molecular Mass
201.82246
Exact Mass
200.96814013
Charge
0
InChI
InChI=1S/C7H3BCl2O2/c9-6-3-4(8-12)1-2-5(6)7(10)11/h1-3H
InChIKey
GUMYQGOUIRGLNO-UHFFFAOYSA-N
Canonic Smiles
O=[BH]c1ccc(c(c1)Cl)C(=O)Cl
Isomeric Smiles
[BH](=O)c1cc(c(cc1)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8592
LogD (pH = 7.4)
2.8592
Log P
2.8592
Molar Refractivity
42.8367
Polarizability
17.848074
Polar Surface Area
34.14
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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