Molecule

ID:46183

General Information
Structure
Molecular Formula
C₁₉H₂₃BrClNO
Molecular Mass
396.74902
Exact Mass
395.06515404
Charge
0
InChI
InChI=1S/C19H22BrNO.ClH/c20-17-6-7-19(18(14-17)16-4-2-1-3-5-16)22-13-10-15-8-11-21-12-9-15;/h1-7,14-15,21H,8-13H2;1H
InChIKey
RNNXEFLXCZSPHY-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(c(c1)c1ccccc1)OCCC1CCNCC1.Cl
Isomeric Smiles
c1(c(ccc(c1)Br)OCCC1CCNCC1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4709407
LogD (pH = 7.4)
1.9273306
Log P
4.7025266
Molar Refractivity
94.9326
Polarizability
38.282112
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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