Molecule

ID:27622

General Information
Structure
MolImage
Molecular Formula
C₇H₃BrClNO
Molecular Mass
232.46182
Exact Mass
230.9086534
Charge
0
InChI
InChI=1S/C7H3BrClNO/c8-5-1-2-7(10-4-11)6(9)3-5/h1-3H
InChIKey
QWWBEOZNMPWYQR-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1ccc(cc1Cl)Br
Isomeric Smiles
C(=Nc1c(cc(cc1)Br)Cl)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2555988
LogD (pH = 7.4)
3.2555988
Log P
3.2555988
Molar Refractivity
47.5576
Polarizability
17.55259
Polar Surface Area
29.43
Rotatable Bonds
1
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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