Molecule

ID:46169

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃BrClNO
Molecular Mass
348.70622
Exact Mass
347.06515404
Charge
0
InChI
InChI=1S/C15H22BrNO.ClH/c1-2-12-6-7-15(14(16)11-12)18-10-8-13-5-3-4-9-17-13;/h6-7,11,13,17H,2-5,8-10H2,1H3;1H
InChIKey
MRYFZICDIDBYHM-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(c(c1)Br)OCCC1CCCCN1.Cl
Isomeric Smiles
c1(c(ccc(c1)CC)OCCC1NCCCC1)Br.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.92247206
LogD (pH = 7.4)
1.5153748
Log P
4.148007
Molar Refractivity
79.1882
Polarizability
30.997168
Polar Surface Area
21.26
Rotatable Bonds
5
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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