Molecule

ID:70486

General Information
Structure
MolImage
Molecular Formula
C₄H₁₀Br₃N
Molecular Mass
311.8409
Exact Mass
308.83633533
Charge
0
InChI
InChI=1S/C4H9Br2N.BrH/c5-1-3-7-4-2-6;/h7H,1-4H2;1H
InChIKey
YHHKEXPNBPDPOW-UHFFFAOYSA-N
Canonic Smiles
BrCCNCCBr.Br
Isomeric Smiles
N(CCBr)CCBr.Br
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2967626
LogD (pH = 7.4)
0.37689367
Log P
1.5070918
Molar Refractivity
39.347
Polarizability
15.422036
Polar Surface Area
12.03
Rotatable Bonds
4
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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