Molecule

ID:20877

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-11-5-3-6-12(9-11)15-13-7-4-8-14-10-13;/h3,5-6,9,13-14H,2,4,7-8,10H2,1H3;1H
InChIKey
KYDOXHQMQIIGPV-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1)OC1CCCNC1.Cl
Isomeric Smiles
N1CC(Oc2cccc(c2)CC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.29386622
LogD (pH = 7.4)
0.8233814
Log P
2.8747258
Molar Refractivity
62.099
Polarizability
24.636559
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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