Molecule

ID:6799

General Information
Structure
Molecular Formula
C₄H₇Br
Molecular Mass
135.00238
Exact Mass
133.97311222
Charge
0
InChI
InChI=1S/C4H7Br/c1-3-4(2)5/h3H,1-2H3/b4-3+
InChIKey
UILZQFGKPHAAOU-ONEGZZNKSA-N
Canonic Smiles
C/C=C(/Br)\C
Isomeric Smiles
C/C(=C\C)/Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.0476887
LogD (pH = 7.4)
2.0476887
Log P
2.0476887
Molar Refractivity
29.088
Polarizability
10.608374
Polar Surface Area
0.0
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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