Molecule

ID:46423

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄ClNO₂
Molecular Mass
237.76676
Exact Mass
237.14955669
Charge
0
InChI
InChI=1S/C11H23NO2.ClH/c1-13-8-2-9-14-10-5-11-3-6-12-7-4-11;/h11-12H,2-10H2,1H3;1H
InChIKey
IODHHXYVNBKOFV-UHFFFAOYSA-N
Canonic Smiles
COCCCOCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCCCOC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.623078
LogD (pH = 7.4)
-2.1666884
Log P
0.6085075
Molar Refractivity
58.5738
Polarizability
23.170424
Polar Surface Area
30.49
Rotatable Bonds
7
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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