Molecule

ID:46115

General Information
Structure
Molecular Formula
C₁₅H₂₃BrClNO
Molecular Mass
348.70622
Exact Mass
347.06515404
Charge
0
InChI
InChI=1S/C15H22BrNO.ClH/c1-2-13-11-14(16)3-4-15(13)18-10-7-12-5-8-17-9-6-12;/h3-4,11-12,17H,2,5-10H2,1H3;1H
InChIKey
ZEPXZVRGOYWWKS-UHFFFAOYSA-N
Canonic Smiles
CCc1cc(Br)ccc1OCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)Br)OCCC1CCNCC1)CC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7817054
LogD (pH = 7.4)
1.2380953
Log P
4.013291
Molar Refractivity
79.4386
Polarizability
30.991068
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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