Molecule

ID:34532

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀ClNO₂
Molecular Mass
269.7671
Exact Mass
269.11825657
Charge
0
InChI
InChI=1S/C14H19NO2.ClH/c1-2-17-13-5-3-11(4-6-13)14(16)12-7-9-15-10-8-12;/h3-6,12,15H,2,7-10H2,1H3;1H
InChIKey
QVHUEJBPMHFMRQ-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)C(=O)C1CCNCC1.Cl
Isomeric Smiles
C1NCCC(C1)C(=O)c1ccc(cc1)OCC.Cl
Calculated Properties
JChem
Acid pKa
16.773996
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3884499
LogD (pH = 7.4)
-0.7336697
Log P
1.8336079
Molar Refractivity
68.1042
Polarizability
26.585909
Polar Surface Area
38.33
Rotatable Bonds
4
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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