Molecule

ID:84584

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂BrNO
Molecular Mass
324.25598
Exact Mass
323.08847633
Charge
0
InChI
InChI=1S/C16H22BrNO/c1-11(2)19-14-8-13-10-18(16(14)15(13)17)9-12-6-4-3-5-7-12/h3-7,11,13-16H,8-10H2,1-2H3
InChIKey
VBCCRFGEAJEXLD-UHFFFAOYSA-N
Canonic Smiles
CC(OC1CC2C(C1N(C2)Cc1ccccc1)Br)C
Isomeric Smiles
N1(C2C(OC(C)C)CC(C1)C2Br)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2196558
LogD (pH = 7.4)
2.9649963
Log P
3.5645618
Molar Refractivity
81.7302
Polarizability
32.100212
Polar Surface Area
12.47
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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