Molecule

ID:55376

General Information
Structure
MolImage
Molecular Formula
C₂₀H₃₂ClN
Molecular Mass
321.92778
Exact Mass
321.22232771
Charge
0
InChI
InChI=1S/C20H31N.ClH/c1-13-2-15-3-14(1)8-19(7-13,9-15)21-20-10-16-4-17(11-20)6-18(5-16)12-20;/h13-18,21H,1-12H2;1H
InChIKey
PHJYRIQTRKJYDF-UHFFFAOYSA-N
Canonic Smiles
C1C2CC3CC1CC(C2)(C3)NC12CC3CC(C2)CC(C1)C3.Cl
Isomeric Smiles
C1C2CC3(CC1CC(C2)C3)NC12CC3CC(C1)CC(C3)C2.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.7486493
LogD (pH = 7.4)
0.8028344
Log P
3.9899344
Molar Refractivity
85.927
Polarizability
34.750088
Polar Surface Area
12.03
Rotatable Bonds
2
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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