Molecule

ID:19467

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-15-13-5-3-4-12(10-13)11-6-8-14-9-7-11;/h3-5,10-11,14H,2,6-9H2,1H3;1H
InChIKey
PBFILZLYSFBBHW-UHFFFAOYSA-N
Canonic Smiles
CCOc1cccc(c1)C1CCNCC1.Cl
Isomeric Smiles
c1(cccc(c1)OCC)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9439063
LogD (pH = 7.4)
-0.277662
Log P
2.2774475
Molar Refractivity
62.6908
Polarizability
24.635435
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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