Molecule

ID:20966

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-11-4-3-5-13(10-11)15-12-6-8-14-9-7-12;/h3-5,10,12,14H,2,6-9H2,1H3;1H
InChIKey
DAYCXJYWXNGBIY-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)OC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Oc2cccc(c2)CC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7900759
LogD (pH = 7.4)
0.054242678
Log P
2.4173229
Molar Refractivity
62.3198
Polarizability
24.636618
Polar Surface Area
21.26
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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