Molecule

ID:35710

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₀BrNO₃
Molecular Mass
306.1961
Exact Mass
305.06265551
Charge
0
InChI
InChI=1S/C12H20BrNO3/c1-3-10(13)11(15)14-7-5-9(6-8-14)12(16)17-4-2/h9-10H,3-8H2,1-2H3
InChIKey
WCARHCJUWJJHQM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)C(CC)Br
Isomeric Smiles
N1(C(=O)C(Br)CC)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8070022
LogD (pH = 7.4)
1.8070022
Log P
1.8070022
Molar Refractivity
68.9135
Polarizability
26.905075
Polar Surface Area
46.61
Rotatable Bonds
5
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
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References
Bioactivity
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