Molecule

ID:63000

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃ClN₂O₂
Molecular Mass
346.85112
Exact Mass
346.14480567
Charge
0
InChI
InChI=1S/C19H22N2O2.ClH/c1-21-11-10-20-18(19(21)22)13-14-4-3-5-16(12-14)15-6-8-17(23-2)9-7-15;/h3-9,12,18,20H,10-11,13H2,1-2H3;1H
InChIKey
BBBNBJQQWKNHCF-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1cccc(c1)CC1NCCN(C1=O)C.Cl
Isomeric Smiles
C1(=O)N(CCNC1Cc1cc(c2ccc(cc2)OC)ccc1)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0917171
LogD (pH = 7.4)
2.3576987
Log P
2.4686341
Molar Refractivity
91.1369
Polarizability
36.883335
Polar Surface Area
41.57
Rotatable Bonds
4
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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