Molecule

ID:46489

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO
Molecular Mass
317.85296
Exact Mass
317.15464207
Charge
0
InChI
InChI=1S/C19H23NO.ClH/c1-2-8-16(9-3-1)18-11-4-5-12-19(18)21-15-13-17-10-6-7-14-20-17;/h1-5,8-9,11-12,17,20H,6-7,10,13-15H2;1H
InChIKey
LJPBOYORTIAKSQ-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CCOc1ccccc1c1ccccc1.Cl
Isomeric Smiles
c1(c(OCCC2NCCCC2)cccc1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8429547
LogD (pH = 7.4)
1.4358574
Log P
4.0684896
Molar Refractivity
87.0594
Polarizability
35.777588
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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