Molecule

ID:46487

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄ClNO
Molecular Mass
317.85296
Exact Mass
317.15464207
Charge
0
InChI
InChI=1S/C19H23NO.ClH/c1-2-6-17(7-3-1)18-8-4-5-9-19(18)21-15-12-16-10-13-20-14-11-16;/h1-9,16,20H,10-15H2;1H
InChIKey
PFKJQUGRCNCODS-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCOc1ccccc1c1ccccc1.Cl
Isomeric Smiles
c1(c(OCCC2CCNCC2)cccc1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.702188
LogD (pH = 7.4)
1.158578
Log P
3.9337738
Molar Refractivity
87.3098
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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