Molecule

ID:20567

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀BrNO
Molecular Mass
298.2187
Exact Mass
297.07282627
Charge
0
InChI
InChI=1S/C14H20BrNO/c15-12-6-7-14(13(16)10-12)17-9-8-11-4-2-1-3-5-11/h6-7,10-11H,1-5,8-9,16H2
InChIKey
KILWSMFBDCGOFK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)N)OCCC1CCCCC1
Isomeric Smiles
c1(cc(ccc1OCCC1CCCCC1)Br)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.2290096
LogD (pH = 7.4)
4.236207
Log P
4.2362995
Molar Refractivity
75.2674
Polarizability
28.865597
Polar Surface Area
35.25
Rotatable Bonds
4
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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