Molecule

ID:28955

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H20ClNO/c1-12-6-4-7-13(2)17(12)20-11-10-19-16-9-5-8-15(18)14(16)3/h4-9,19H,10-11H2,1-3H3
InChIKey
PRRAMHNTODWDSA-UHFFFAOYSA-N
Canonic Smiles
Cc1c(NCCOc2c(C)cccc2C)cccc1Cl
Isomeric Smiles
c1(c(NCCOc2c(cccc2C)C)cccc1Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.228004
LogD (pH = 7.4)
5.2343016
Log P
5.2343826
Molar Refractivity
86.7324
Polarizability
32.582424
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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