Molecule

ID:70540

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃ClN₂O₂
Molecular Mass
358.86182
Exact Mass
358.14480567
Charge
0
InChI
InChI=1S/C20H22N2O2.ClH/c1-14(2)19(20(23)24-3)22-13-15-8-10-16(11-9-15)18-7-5-4-6-17(18)12-21;/h4-11,14,19,22H,13H2,1-3H3;1H/t19-;/m0./s1
InChIKey
AZQXUWUZQLZNIM-FYZYNONXSA-N
Canonic Smiles
COC(=O)[C@H](C(C)C)NCc1ccc(cc1)c1ccccc1C#N.Cl
Isomeric Smiles
C(=O)([C@H](C(C)C)NCc1ccc(cc1)c1c(cccc1)C#N)OC.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.292794
LogD (pH = 7.4)
4.0851626
Log P
4.115053
Molar Refractivity
94.507
Polarizability
38.33375
Polar Surface Area
62.12
Rotatable Bonds
7
Lipinski's Rule of Five
true
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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