Molecule

ID:32274

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂BrNO₂
Molecular Mass
328.24468
Exact Mass
327.08339095
Charge
0
InChI
InChI=1S/C15H22BrNO2/c1-2-3-4-5-6-11-19-14-9-7-13(8-10-14)17-15(18)12-16/h7-10H,2-6,11-12H2,1H3,(H,17,18)
InChIKey
ZVTUJPADNAQVGL-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCOc1ccc(cc1)NC(=O)CBr
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OCCCCCCC)CBr
Calculated Properties
JChem
Acid pKa
14.180625
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.433729
LogD (pH = 7.4)
4.4337287
Log P
4.433729
Molar Refractivity
82.7975
Polarizability
31.42534
Polar Surface Area
38.33
Rotatable Bonds
9
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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