Molecule

ID:55805

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O₂
Molecular Mass
298.80832
Exact Mass
298.14480567
Charge
0
InChI
InChI=1S/C15H22N2O2.ClH/c1-11(2)17-15(18)12-5-7-14(8-6-12)19-10-13-4-3-9-16-13;/h5-8,11,13,16H,3-4,9-10H2,1-2H3,(H,17,18);1H
InChIKey
IKAUEYDKYRVFRB-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)c1ccc(cc1)OCC1CCCN1)C.Cl
Isomeric Smiles
O(c1ccc(cc1)C(=O)NC(C)C)CC1CCCN1.Cl
Calculated Properties
JChem
Acid pKa
15.168259
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4697875
LogD (pH = 7.4)
-1.090511
Log P
1.764435
Molar Refractivity
75.5993
Polarizability
29.363209
Polar Surface Area
50.36
Rotatable Bonds
5
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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