Molecule

ID:46855

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅BrClNO₂
Molecular Mass
308.5993
Exact Mass
306.99746841
Charge
0
InChI
InChI=1S/C11H14BrNO2.ClH/c1-14-8-2-3-11(10(12)6-8)15-9-4-5-13-7-9;/h2-3,6,9,13H,4-5,7H2,1H3;1H
InChIKey
QKBDJHUBEAWSKI-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(c(c1)Br)OC1CNCC1.Cl
Isomeric Smiles
c1(c(cc(cc1)OC)Br)OC1CCNC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.2194571
LogD (pH = 7.4)
-0.72058845
Log P
2.0104544
Molar Refractivity
61.8982
Polarizability
24.489616
Polar Surface Area
30.49
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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