Molecule

ID:104405

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClNO
Molecular Mass
289.7998
Exact Mass
289.12334195
Charge
0
InChI
InChI=1S/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H
InChIKey
CNNVSINJDJNHQK-UHFFFAOYSA-N
Canonic Smiles
CN1CCOC(c2c(C1)cccc2)c1ccccc1.Cl
Isomeric Smiles
Cl.CN1CCOC(c2ccccc2)c2ccccc2C1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9352903
LogD (pH = 7.4)
2.699522
Log P
3.4031346
Molar Refractivity
78.4816
Polarizability
30.65775
Polar Surface Area
12.47
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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