Molecule

ID:72199

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrN₂O
Molecular Mass
203.03658
Exact Mass
201.97417485
Charge
0
InChI
InChI=1S/C6H7BrN2O/c7-6-8-5(10-9-6)4-2-1-3-4/h4H,1-3H2
InChIKey
BSTMGFYKJQTKSO-UHFFFAOYSA-N
Canonic Smiles
Brc1noc(n1)C1CCC1
Isomeric Smiles
C1(c2onc(n2)Br)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0573044
LogD (pH = 7.4)
2.0573044
Log P
2.0573044
Molar Refractivity
41.2125
Polarizability
15.185584
Polar Surface Area
38.92
Rotatable Bonds
1
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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