Molecule

ID:100110

General Information
Structure
MolImage
Molecular Formula
C₅H₄BrFN₂
Molecular Mass
191.0010632
Exact Mass
189.95418836
Charge
0
InChI
InChI=1S/C5H4BrFN2/c6-4-1-3(8)2-9-5(4)7/h1-2H,8H2
InChIKey
YNQHWPMLZHWUOA-UHFFFAOYSA-N
Canonic Smiles
Nc1cnc(c(c1)Br)F
Isomeric Smiles
n1c(c(cc(c1)N)Br)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2320325
LogD (pH = 7.4)
1.2320327
Log P
1.2320327
Molar Refractivity
37.4554
Polarizability
13.371107
Polar Surface Area
38.91
Rotatable Bonds
0
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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