Molecule

ID:32395

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉BrN₂O₂
Molecular Mass
327.21686
Exact Mass
326.06298986
Charge
0
InChI
InChI=1S/C14H19BrN2O2/c1-2-3-4-8-13(18)16-11-6-5-7-12(9-11)17-14(19)10-15/h5-7,9H,2-4,8,10H2,1H3,(H,16,18)(H,17,19)
InChIKey
WTWBFHIFDZAMCB-UHFFFAOYSA-N
Canonic Smiles
CCCCCC(=O)Nc1cccc(c1)NC(=O)CBr
Isomeric Smiles
C(=O)(Nc1cc(NC(=O)CCCCC)ccc1)CBr
Calculated Properties
JChem
Acid pKa
13.295912
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.2057474
LogD (pH = 7.4)
3.205747
Log P
3.2057474
Molar Refractivity
81.9506
Polarizability
30.16145
Polar Surface Area
58.2
Rotatable Bonds
7
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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