Molecule
ID:86290
General Information
Molecular Formula
C₂₀H₂₁ClN₂O
Molecular Mass
340.84654
Exact Mass
340.13424098
Charge
0
InChI
InChI=1S/C20H21ClN2O/c1-13(2)11-15-7-9-16(10-8-15)14(3)20-22-19(23-24-20)17-5-4-6-18(21)12-17/h4-10,12-14H,11H2,1-3H3
InChIKey
RYKKFJCGWINYSH-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)C(c1onc(n1)c1cccc(c1)Cl)C)C
Isomeric Smiles
n1c(onc1c1cccc(c1)Cl)C(c1ccc(cc1)CC(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.9121623
LogD (pH = 7.4)
6.9121623
Log P
6.9121623
Molar Refractivity
109.4189
Polarizability
38.06266
Polar Surface Area
38.92
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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