Molecule

ID:2758

General Information
Structure
MolImage
Molecular Formula
CHBr₃
Molecular Mass
252.73064
Exact Mass
249.76283603
Charge
0
InChI
InChI=1S/CHBr3/c2-1(3)4/h1H
InChIKey
DIKBFYAXUHHXCS-UHFFFAOYSA-N
Canonic Smiles
BrC(Br)Br
Isomeric Smiles
BrC(Br)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.276419
LogD (pH = 7.4)
2.276419
Log P
2.276419
Molar Refractivity
29.7928
Polarizability
12.047271
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
2.5
LOG S
-2.13
Solubility (Water)
1.88e+00 g/l
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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