Molecule

ID:74685

General Information
Structure
MolImage
Molecular Formula
C₆H₉BrN₂O
Molecular Mass
205.05246
Exact Mass
203.98982492
Charge
0
InChI
InChI=1S/C6H9BrN2O/c1-2-10-5-9-4-3-8-6(9)7/h3-4H,2,5H2,1H3
InChIKey
FZLPPSCLJGMJCZ-UHFFFAOYSA-N
Canonic Smiles
CCOCn1ccnc1Br
Isomeric Smiles
n1c(Br)n(COCC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5354992
LogD (pH = 7.4)
1.5621004
Log P
1.5624523
Molar Refractivity
42.1359
Polarizability
16.40049
Polar Surface Area
27.05
Rotatable Bonds
3
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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