Molecule

ID:131540

General Information
Structure
MolImage
Molecular Formula
C₂₁H₂₈ClNO
Molecular Mass
345.90612
Exact Mass
345.1859422
Charge
0
InChI
InChI=1S/C21H27NO.ClH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H/t17-;/m0./s1
InChIKey
FJQXCDYVZAHXNS-LMOVPXPDSA-N
Canonic Smiles
CCC(=O)C(c1ccccc1)(c1ccccc1)C[C@@H](N(C)C)C.Cl
Isomeric Smiles
CCC(=O)C(C[C@H](C)N(C)C)(c1ccccc1)c1ccccc1.Cl
Calculated Properties
JChem
Acid pKa
18.780819
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7526444
LogD (pH = 7.4)
3.2887921
Log P
5.0071716
Molar Refractivity
97.2689
Polarizability
38.16956
Polar Surface Area
20.31
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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