Molecule

ID:64591

General Information
Structure
MolImage
Molecular Formula
C₈H₉BrN₂
Molecular Mass
213.07446
Exact Mass
211.9949103
Charge
0
InChI
InChI=1S/C8H9BrN2/c9-7-3-6-4-10-2-1-8(6)11-5-7/h3,5,10H,1-2,4H2
InChIKey
IRZFIOXYROEMPD-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2CNCCc2nc1
Isomeric Smiles
n1c2c(cc(c1)Br)CNCC2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.7701869
LogD (pH = 7.4)
-0.1689144
Log P
1.1523868
Molar Refractivity
47.5037
Polarizability
18.464914
Polar Surface Area
24.92
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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