Molecule

ID:76312

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-15-13-4-2-11(3-5-13)10-12-6-8-14-9-7-12;/h2-5,12,14H,6-10H2,1H3;1H
InChIKey
ZYMIUGACXVWBTE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Cc2ccc(cc2)OC)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.86635816
LogD (pH = 7.4)
-0.40944827
Log P
2.3652081
Molar Refractivity
62.5432
Polarizability
24.635925
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
No Data Available
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Molecule Details
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References
Bioactivity
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