Molecule

ID:30492

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇BrN₂O
Molecular Mass
273.16948
Exact Mass
272.05242517
Charge
0
InChI
InChI=1S/C11H16N2O.BrH/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11;/h1,3,5,7,11,13H,2,4,6,8-9H2;1H
InChIKey
JDRBWFKDKIQFIE-UHFFFAOYSA-N
Canonic Smiles
C1COC(C1)CNCc1cccnc1.Br
Isomeric Smiles
n1cc(CNCC2OCCC2)ccc1.Br
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.270557
LogD (pH = 7.4)
-0.7467984
Log P
0.7325112
Molar Refractivity
55.4038
Polarizability
21.96531
Polar Surface Area
34.15
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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