Molecule

ID:46622

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃ClN₂O₂
Molecular Mass
298.80832
Exact Mass
298.14480567
Charge
0
InChI
InChI=1S/C15H22N2O2.ClH/c1-12(18)17-14-2-4-15(5-3-14)19-11-8-13-6-9-16-10-7-13;/h2-5,13,16H,6-11H2,1H3,(H,17,18);1H
InChIKey
NSQKUPBLSWHBNA-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1)OCCC1CCNCC1.Cl
Isomeric Smiles
C(=O)(Nc1ccc(cc1)OCCC1CCNCC1)C.Cl
Calculated Properties
JChem
Acid pKa
14.978027
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.7073269
LogD (pH = 7.4)
-1.2509367
Log P
1.5242587
Molar Refractivity
77.0366
Polarizability
29.570341
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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