Molecule

ID:59228

General Information
Structure
MolImage
Molecular Formula
C₅H₇BrN₂O
Molecular Mass
191.02588
Exact Mass
189.97417485
Charge
0
InChI
InChI=1S/C5H7BrN2O/c1-3(2)4-7-5(6)8-9-4/h3H,1-2H3
InChIKey
WIDCHCHGUKABLQ-UHFFFAOYSA-N
Canonic Smiles
CC(c1onc(n1)Br)C
Isomeric Smiles
o1c(nc(n1)Br)C(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0764616
LogD (pH = 7.4)
2.0764616
Log P
2.0764616
Molar Refractivity
38.4137
Polarizability
14.08044
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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