Molecule

ID:70172

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₄ClNO
Molecular Mass
341.87436
Exact Mass
341.15464207
Charge
0
InChI
InChI=1S/C21H23NO.ClH/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21;/h3-14,20H,15-16H2,1-2H3;1H/t20-;/m0./s1
InChIKey
IHWDIQRWYNMKFM-BDQAORGHSA-N
Canonic Smiles
CN([C@H](c1ccccc1)CCOc1cccc2c1cccc2)C.Cl
Isomeric Smiles
[C@@H](CCOc1cccc2ccccc12)(N(C)C)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4468201
LogD (pH = 7.4)
3.020529
Log P
4.667896
Molar Refractivity
96.1387
Polarizability
39.01058
Polar Surface Area
12.47
Rotatable Bonds
6
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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