Molecule

ID:45929

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BrClNO
Molecular Mass
340.6427
Exact Mass
339.00255379
Charge
0
InChI
InChI=1S/C15H14BrNO.ClH/c16-12-6-7-15(18-13-9-17-10-13)14(8-12)11-4-2-1-3-5-11;/h1-8,13,17H,9-10H2;1H
InChIKey
JRCDHHIXQRXMJK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)c1ccccc1)OC1CNC1.Cl
Isomeric Smiles
c1(c(OC2CNC2)ccc(c1)Br)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.9141188
LogD (pH = 7.4)
2.5693338
Log P
3.7553914
Molar Refractivity
75.7058
Polarizability
30.921543
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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