Molecule

ID:30409

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO₂
Molecular Mass
257.7564
Exact Mass
257.11825657
Charge
0
InChI
InChI=1S/C13H19NO2.ClH/c1-15-12-4-2-11(3-5-12)13(10-14)6-8-16-9-7-13;/h2-5H,6-10,14H2,1H3;1H
InChIKey
AMOUEZWYFPIFCE-UHFFFAOYSA-N
Canonic Smiles
NCC1(CCOCC1)c1ccc(cc1)OC.Cl
Isomeric Smiles
C1(c2ccc(cc2)OC)(CN)CCOCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.837573
LogD (pH = 7.4)
-0.8994706
Log P
1.1504616
Molar Refractivity
64.1686
Polarizability
25.304829
Polar Surface Area
44.48
Rotatable Bonds
3
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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