Molecule

ID:101141

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrN
Molecular Mass
236.1078
Exact Mass
234.99966133
Charge
0
InChI
InChI=1S/C11H10BrN/c12-9-10-3-5-11(6-4-10)13-7-1-2-8-13/h1-8H,9H2
InChIKey
ADVNJHFDDUGRHL-UHFFFAOYSA-N
Canonic Smiles
BrCc1ccc(cc1)n1cccc1
Isomeric Smiles
n1(c2ccc(cc2)CBr)cccc1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2365
LogD (pH = 7.4)
3.2365
Log P
3.2365
Molar Refractivity
68.6608
Polarizability
22.720047
Polar Surface Area
4.93
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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