Molecule

ID:21012

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-5-12(6-3-1)7-4-10-15-13-8-9-14-11-13;/h1-3,5-6,13-14H,4,7-11H2;1H
InChIKey
FYTFMXJNQUVNBR-UHFFFAOYSA-N
Canonic Smiles
C(OC1CNCC1)CCc1ccccc1.Cl
Isomeric Smiles
N1CCC(OCCCc2ccccc2)C1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0681195
LogD (pH = 7.4)
-0.68718696
Log P
2.166051
Molar Refractivity
62.2721
Polarizability
24.653996
Polar Surface Area
21.26
Rotatable Bonds
5
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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