Molecule

ID:32373

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆BrNO₃
Molecular Mass
278.14294
Exact Mass
277.03135538
Charge
0
InChI
InChI=1S/C10H16BrNO3/c1-2-15-10(14)8-3-5-12(6-4-8)9(13)7-11/h8H,2-7H2,1H3
InChIKey
KJOUBCZYBMZWNO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)CBr
Isomeric Smiles
N1(C(=O)CBr)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.7157155
LogD (pH = 7.4)
0.7157155
Log P
0.7157155
Molar Refractivity
59.8956
Polarizability
23.29124
Polar Surface Area
46.61
Rotatable Bonds
4
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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