Molecule

ID:46557

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)17-14-6-4-7-15(11-14)19-10-8-13-5-2-3-9-16-13;/h4,6-7,11,13,16H,2-3,5,8-10H2,1H3,(H,17,18);1H
InChIKey
XEHBRYRLYSCPNV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)OCCC1CCCCN1.Cl
Isomeric Smiles
C(=O)(Nc1cc(OCCC2NCCCC2)ccc1)C.Cl
Calculated Properties
JChem
Acid pKa
13.943425
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.5665601
LogD (pH = 7.4)
-0.97365594
Log P
1.6589744
Molar Refractivity
76.7862
Polarizability
29.571098
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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