Molecule

ID:36537

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇BrClNO₂
Molecular Mass
300.53578
Exact Mass
298.93486815
Charge
0
InChI
InChI=1S/C11H7BrClNO2/c12-8-3-1-7(2-4-8)5-9-10(6-13)14-16-11(9)15/h1-5H,6H2/b9-5+
InChIKey
MYOCDYHBEOIULH-WEVVVXLNSA-N
Canonic Smiles
ClCC1=NOC(=O)/C/1=C/c1ccc(cc1)Br
Isomeric Smiles
C\1(=C\c2ccc(Br)cc2)/C(=O)ON=C1CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9681025
LogD (pH = 7.4)
3.9681032
Log P
3.9681032
Molar Refractivity
65.3908
Polarizability
24.882267
Polar Surface Area
38.66
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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