Molecule

ID:17068

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁ClN₂O
Molecular Mass
244.76094
Exact Mass
244.13424098
Charge
0
InChI
InChI=1S/C12H21ClN2O/c13-10-12(16)15-8-4-11(5-9-15)14-6-2-1-3-7-14/h11H,1-10H2
InChIKey
KETHBBKMZKINSV-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCC(CC1)N1CCCCC1
Isomeric Smiles
C1(N2CCCCC2)CCN(CC1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-2.5770826
LogD (pH = 7.4)
-1.3732208
Log P
0.83157986
Molar Refractivity
66.6056
Polarizability
25.942343
Polar Surface Area
23.55
Rotatable Bonds
2
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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