Molecule

ID:76409

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-15-13-7-3-2-6-12(13)9-11-5-4-8-14-10-11;/h2-3,6-7,11,14H,4-5,8-10H2,1H3;1H
InChIKey
QNEZJQHOUHPHOF-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1CC1CCCNC1.Cl
Isomeric Smiles
N1CC(Cc2ccccc2OC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7831312
LogD (pH = 7.4)
-0.20506136
Log P
2.443162
Molar Refractivity
62.4662
Polarizability
24.637424
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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