Molecule

ID:93349

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀BrFN₂
Molecular Mass
197.0487032
Exact Mass
196.00113855
Charge
0
InChI
InChI=1S/C5H10FN2.BrH/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKey
YVWMUDYUXDNHQZ-UHFFFAOYSA-M
Canonic Smiles
CN1CC[N+](=C1F)C.[Br-]
Isomeric Smiles
N1(C(=[N+](CC1)C)F)C.[Br-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-3.1660523
LogD (pH = 7.4)
-3.1660523
Log P
-3.1660523
Molar Refractivity
41.8317
Polarizability
11.128039
Polar Surface Area
6.25
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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