Molecule

ID:52646

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈BrNO₂
Molecular Mass
264.15942
Exact Mass
263.05209082
Charge
0
InChI
InChI=1S/C10H18BrNO2/c1-10(2,3)14-9(13)12-5-4-8(6-11)7-12/h8H,4-7H2,1-3H3
InChIKey
NQNGQGISAMHLST-UHFFFAOYSA-N
Canonic Smiles
BrCC1CCN(C1)C(=O)OC(C)(C)C
Isomeric Smiles
C1CC(CN1C(=O)OC(C)(C)C)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.00605
LogD (pH = 7.4)
2.00605
Log P
2.00605
Molar Refractivity
59.5655
Polarizability
23.108479
Polar Surface Area
29.54
Rotatable Bonds
3
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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