Molecule

ID:20682

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇BrClNO
Molecular Mass
306.62648
Exact Mass
305.01820385
Charge
0
InChI
InChI=1S/C12H16BrNO.ClH/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10;/h1,4-5,7,10,14H,2-3,6,8-9H2;1H
InChIKey
AMMIAVSPDSFSRJ-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)OCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COc2cc(Br)ccc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.49164438
LogD (pH = 7.4)
0.16594285
Log P
2.7302427
Molar Refractivity
65.0196
Polarizability
25.575483
Polar Surface Area
21.26
Rotatable Bonds
3
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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