Molecule

ID:62531

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₅ClN₂O₂
Molecular Mass
324.8456
Exact Mass
324.16045573
Charge
0
InChI
InChI=1S/C17H24N2O2.ClH/c1-21-16-8-3-2-6-13(16)10-17(20)19-9-5-4-7-14-11-18-12-15(14)19;/h2-3,6,8,14-15,18H,4-5,7,9-12H2,1H3;1H
InChIKey
KILLETAYBMYPRI-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CC(=O)N1CCCCC2C1CNC2.Cl
Isomeric Smiles
N1(C(=O)Cc2c(OC)cccc2)C2C(CNC2)CCCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6627368
LogD (pH = 7.4)
-1.315945
Log P
1.5724589
Molar Refractivity
82.6222
Polarizability
32.53572
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
No Data Available
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Molecule Details
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References
Bioactivity
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