Molecule

ID:73837

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀BrN
Molecular Mass
236.1078
Exact Mass
234.99966133
Charge
0
InChI
InChI=1S/C11H10BrN/c1-9(12)6-7-10-4-2-3-5-11(10)8-13/h2-5H,1,6-7H2
InChIKey
BSSGDFZRWCQAER-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1CCC(=C)Br
Isomeric Smiles
BrC(=C)CCc1ccccc1C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.618045
LogD (pH = 7.4)
3.618045
Log P
3.618045
Molar Refractivity
58.3561
Polarizability
21.837818
Polar Surface Area
23.79
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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