Molecule

ID:68834

General Information
Structure
MolImage
Molecular Formula
C₄H₁₁Br₂N
Molecular Mass
232.94484
Exact Mass
230.92582336
Charge
0
InChI
InChI=1S/C4H10BrN.BrH/c1-6(2)4-3-5;/h3-4H2,1-2H3;1H
InChIKey
MFRUVSDIZTZFFL-UHFFFAOYSA-N
Canonic Smiles
BrCCN(C)C.Br
Isomeric Smiles
N(C)(C)CCBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
-0.86071336
LogD (pH = 7.4)
0.73604584
Log P
1.0401546
Molar Refractivity
32.3149
Polarizability
12.367952
Polar Surface Area
3.24
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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