Molecule

ID:20937

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-11-2-4-12(5-3-11)10-15-13-6-8-14-9-7-13;/h2-5,13-14H,6-10H2,1H3;1H
InChIKey
ROAOWVGFHODCCU-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)COC1CCNCC1.Cl
Isomeric Smiles
Cl.N1CCC(OCc2ccc(cc2)C)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2137318
LogD (pH = 7.4)
-0.52530867
Log P
2.0062022
Molar Refractivity
62.8227
Polarizability
24.648266
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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