Molecule

ID:52026

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄BrNO₂
Molecular Mass
366.29266
Exact Mass
365.09904101
Charge
0
InChI
InChI=1S/C18H24BrNO2/c19-13-9-5-3-1-2-4-6-10-14-20-17(21)15-11-7-8-12-16(15)18(20)22/h7-8,11-12H,1-6,9-10,13-14H2
InChIKey
LJFIOTMXPRSHSB-UHFFFAOYSA-N
Canonic Smiles
BrCCCCCCCCCCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
C1(=O)c2c(C(=O)N1CCCCCCCCCCBr)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0118184
LogD (pH = 7.4)
5.0118184
Log P
5.0118184
Molar Refractivity
93.6543
Polarizability
35.196064
Polar Surface Area
37.38
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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