Molecule

ID:117824

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄BrNO₃
Molecular Mass
370.28136
Exact Mass
369.09395563
Charge
0
InChI
InChI=1S/C17H24BrNO3/c1-17(2,3)22-16(20)19-10-8-14(9-11-19)21-12-13-6-4-5-7-15(13)18/h4-7,14H,8-12H2,1-3H3
InChIKey
BTODOCWWAILSGM-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC(CC1)OCc1ccccc1Br)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)OCc1c(Br)cccc1)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5447264
LogD (pH = 7.4)
3.5447264
Log P
3.5447264
Molar Refractivity
90.3994
Polarizability
35.221977
Polar Surface Area
38.77
Rotatable Bonds
5
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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