Molecule

ID:55787

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃ClN₂O₂
Molecular Mass
346.85112
Exact Mass
346.14480567
Charge
0
InChI
InChI=1S/C19H22N2O2.ClH/c1-14-3-6-18(7-4-14)21(15(2)22)13-16-5-8-19-17(11-16)12-20-9-10-23-19;/h3-8,11,20H,9-10,12-13H2,1-2H3;1H
InChIKey
OPHYVZZHFMLKIN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)N(C(=O)C)Cc1ccc2c(c1)CNCCO2.Cl
Isomeric Smiles
c1(ccc2c(c1)CNCCO2)CN(c1ccc(cc1)C)C(=O)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.41176036
LogD (pH = 7.4)
1.1619843
Log P
2.5420694
Molar Refractivity
91.4329
Polarizability
35.404503
Polar Surface Area
41.57
Rotatable Bonds
3
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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