Molecule

ID:84068

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃BrClNO₂
Molecular Mass
364.70562
Exact Mass
363.06006866
Charge
0
InChI
InChI=1S/C15H23ClNO2.BrH/c1-4-17(5-2)10-12(3)19-15(18,11-17)13-6-8-14(16)9-7-13;/h6-9,12,18H,4-5,10-11H2,1-3H3;1H/q+1;/p-1
InChIKey
OLQGFZFCCWOVQT-UHFFFAOYSA-M
Canonic Smiles
CC[N+]1(CC)CC(C)OC(C1)(O)c1ccc(cc1)Cl.[Br-]
Isomeric Smiles
[N+]1(CC(c2ccc(cc2)Cl)(OC(C1)C)O)(CC)CC.[Br-]
Calculated Properties
JChem
Acid pKa
9.628681
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.86126304
LogD (pH = 7.4)
-0.81596327
Log P
-0.86187583
Molar Refractivity
89.4471
Polarizability
30.80202
Polar Surface Area
29.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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