Molecule

ID:134302

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄BrNO₂
Molecular Mass
260.12766
Exact Mass
259.02079069
Charge
0
InChI
InChI=1S/C10H13NO2.BrH/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;/h1,5H,4,6-8H2,2H3;1H
InChIKey
LRPUAFALRBYLTA-UHFFFAOYSA-N
Canonic Smiles
CN1CC(=CCC1)C(=O)OCC#C.Br
Isomeric Smiles
CN1CCC=C(C1)C(=O)OCC#C.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.650046
LogD (pH = 7.4)
0.119816534
Log P
0.8768857
Molar Refractivity
51.4412
Polarizability
19.373457
Polar Surface Area
29.54
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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