Molecule

ID:55286

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-4-12(5-3-1)6-9-14-13-7-10-15-11-8-13;/h1-5,13-14H,6-11H2;1H
InChIKey
ZHEYXWMENRGBHS-UHFFFAOYSA-N
Canonic Smiles
O1CCC(CC1)NCCc1ccccc1.Cl
Isomeric Smiles
O1CCC(NCCc2ccccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4466493
LogD (pH = 7.4)
-0.90604687
Log P
1.7814419
Molar Refractivity
62.5365
Polarizability
24.65328
Polar Surface Area
21.26
Rotatable Bonds
4
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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