Molecule

ID:55708

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₀BrNO
Molecular Mass
310.2294
Exact Mass
309.07282627
Charge
0
InChI
InChI=1S/C15H19NO.BrH/c1-2-14(10-16-3-1)17-15-7-11-4-12(8-15)6-13(5-11)9-15;/h1-3,10-13H,4-9H2;1H
InChIKey
QWRLIBVDRFXUCZ-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)OC12CC3CC(C2)CC(C1)C3.Br
Isomeric Smiles
C12(CC3CC(C1)CC(C2)C3)Oc1cnccc1.Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6226034
LogD (pH = 7.4)
2.6883843
Log P
2.6893086
Molar Refractivity
65.9811
Polarizability
26.338951
Polar Surface Area
22.12
Rotatable Bonds
2
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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