Molecule

ID:31989

General Information
Structure
MolImage
Molecular Formula
C₆H₇BrN₂O
Molecular Mass
203.03658
Exact Mass
201.97417485
Charge
0
InChI
InChI=1S/C6H7BrN2O/c1-2-9-6(4-10)5(7)3-8-9/h3-4H,2H2,1H3
InChIKey
KDZYNSUALWYJIU-UHFFFAOYSA-N
Canonic Smiles
CCn1ncc(c1C=O)Br
Isomeric Smiles
c1(n(ncc1Br)CC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1591669
LogD (pH = 7.4)
1.1591699
Log P
1.1591699
Molar Refractivity
53.7943
Polarizability
15.644611
Polar Surface Area
34.89
Rotatable Bonds
2
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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