Molecule

ID:46419

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₄ClNO₂
Molecular Mass
249.77746
Exact Mass
249.14955669
Charge
0
InChI
InChI=1S/C12H23NO2.ClH/c1-2-8-14-10-11-15-9-5-12-3-6-13-7-4-12;/h2,12-13H,1,3-11H2;1H
InChIKey
YTUHOXDUUMAFKI-UHFFFAOYSA-N
Canonic Smiles
C=CCOCCOCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCCOCC=C)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.9517881
LogD (pH = 7.4)
-1.4953983
Log P
1.2797977
Molar Refractivity
62.8711
Polarizability
24.772308
Polar Surface Area
30.49
Rotatable Bonds
8
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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