Molecule

ID:76341

General Information
Structure
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Molecular Formula
C₇H₇Br
Molecular Mass
171.03448
Exact Mass
169.97311222
Charge
0
InChI
InChI=1S/C7H7Br/c8-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
AGEZXYOZHKGVCM-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccccc1
Isomeric Smiles
BrCc1ccccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.7459831
LogD (pH = 7.4)
2.7459831
Log P
2.7459831
Molar Refractivity
38.9084
Polarizability
14.812696
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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