Molecule

ID:13981

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉BrN₂O
Molecular Mass
323.22816
Exact Mass
322.06807524
Charge
0
InChI
InChI=1S/C15H18N2O.BrH/c1-18-15-4-2-13(3-5-15)6-11-17-12-14-7-9-16-10-8-14;/h2-5,7-10,17H,6,11-12H2,1H3;1H
InChIKey
SRVZPUGRLMPXTR-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CCNCc1ccncc1.Br
Isomeric Smiles
c1c(ccc(c1)CCNCc1ccncc1)OC.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.0081828
LogD (pH = 7.4)
0.067124635
Log P
2.1693852
Molar Refractivity
72.9799
Polarizability
28.533688
Polar Surface Area
34.15
Rotatable Bonds
6
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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