Molecule

ID:47258

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-2-9-15-11-3-5-12(6-4-11)16-13-7-8-14-10-13;/h3-6,13-14H,2,7-10H2,1H3;1H
InChIKey
IIPBBFHCVZVLBJ-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccc(cc1)OC1CNCC1.Cl
Isomeric Smiles
N1CCC(Oc2ccc(cc2)OCCC)C1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.1098717
LogD (pH = 7.4)
-0.63565254
Log P
2.121032
Molar Refractivity
63.548
Polarizability
25.369297
Polar Surface Area
30.49
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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