Molecule

ID:131594

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₄ClN₃O₂
Molecular Mass
373.87646
Exact Mass
373.1557047
Charge
0
InChI
InChI=1S/C20H24ClN3O2/c1-26-19-4-2-3-16(15-19)20(25)22-9-10-23-11-13-24(14-12-23)18-7-5-17(21)6-8-18/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKey
DQVARXSGNFBPMB-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)Cl
Isomeric Smiles
COc1cccc(c1)C(=O)NCCN1CCN(CC1)c1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
14.592622
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8870311
LogD (pH = 7.4)
3.1435182
Log P
3.25082
Molar Refractivity
105.8688
Polarizability
40.11218
Polar Surface Area
44.81
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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