Molecule

ID:73848

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈BrN
Molecular Mass
222.08122
Exact Mass
220.98401126
Charge
0
InChI
InChI=1S/C10H8BrN/c1-8(11)6-9-4-2-3-5-10(9)7-12/h2-5H,1,6H2
InChIKey
KDHATUAMZYUBKZ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1CC(=C)Br
Isomeric Smiles
BrC(=C)Cc1c(cccc1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1734762
LogD (pH = 7.4)
3.1734762
Log P
3.1734762
Molar Refractivity
53.7551
Polarizability
20.082518
Polar Surface Area
23.79
Rotatable Bonds
2
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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