Molecule

ID:76406

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-15-13-6-4-11(5-7-13)9-12-3-2-8-14-10-12;/h4-7,12,14H,2-3,8-10H2,1H3;1H
InChIKey
RHHZAZRBJHYYSE-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)CC1CCCNC1.Cl
Isomeric Smiles
N1CC(Cc2ccc(cc2)OC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.785165
LogD (pH = 7.4)
-0.24973293
Log P
2.443162
Molar Refractivity
62.4662
Polarizability
24.63586
Polar Surface Area
21.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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