Molecule

ID:69860

General Information
Structure
Molecular Formula
C₉H₇Br
Molecular Mass
195.05588
Exact Mass
193.97311222
Charge
0
InChI
InChI=1S/C9H7Br/c10-9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2
InChIKey
CCUYEVNCRQDQRF-UHFFFAOYSA-N
Canonic Smiles
BrC1=Cc2c(C1)cccc2
Isomeric Smiles
C1C(=Cc2ccccc12)Br
Calculated Properties
JChem
Acid pKa
18.467087
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9472733
LogD (pH = 7.4)
2.9472733
Log P
2.9472733
Molar Refractivity
47.744
Polarizability
17.58059
Polar Surface Area
0.0
Rotatable Bonds
0
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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