Molecule

ID:41619

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrClNO₂
Molecular Mass
250.4771
Exact Mass
248.91921809
Charge
0
InChI
InChI=1S/C7H5BrClNO2/c8-4-5-3-6(10(11)12)1-2-7(5)9/h1-3H,4H2
InChIKey
OGWGXOGPGAAWPM-UHFFFAOYSA-N
Canonic Smiles
BrCc1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
c1(cc(c(cc1)Cl)CBr)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2900121
LogD (pH = 7.4)
3.2900121
Log P
3.2900121
Molar Refractivity
50.0337
Polarizability
18.893703
Polar Surface Area
43.14
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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