Molecule

ID:71822

General Information
Structure
Molecular Formula
C₁₁H₁₉BrN₂O₃
Molecular Mass
307.18416
Exact Mass
306.05790448
Charge
0
InChI
InChI=1S/C11H19BrN2O3/c1-11(2,3)17-10(16)14-6-4-13(5-7-14)9(15)8-12/h4-8H2,1-3H3
InChIKey
LFJTTZCBJLCUIV-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCN(CC1)C(=O)CBr)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8871676
LogD (pH = 7.4)
0.8871676
Log P
0.8871676
Molar Refractivity
67.7465
Polarizability
26.266739
Polar Surface Area
49.85
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
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Molecule Details
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References
Bioactivity
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