Molecule

ID:8701

General Information
Structure
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Molecular Formula
C₃H₅Br₂Cl
Molecular Mass
236.3328
Exact Mass
233.84465184
Charge
0
InChI
InChI=1S/C3H5Br2Cl/c4-1-3(5)2-6/h3H,1-2H2
InChIKey
WBEJYOJJBDISQU-UHFFFAOYSA-N
Canonic Smiles
ClCC(CBr)Br
Isomeric Smiles
C(CBr)(CCl)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.595752
LogD (pH = 7.4)
2.595752
Log P
2.595752
Molar Refractivity
35.6361
Polarizability
14.170941
Polar Surface Area
0.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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