Molecule

ID:48864

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₅ClN₂O
Molecular Mass
248.7927
Exact Mass
248.16554111
Charge
0
InChI
InChI=1S/C12H24N2O.ClH/c1-4-14(11(15)12(2,3)13)10-8-6-5-7-9-10;/h10H,4-9,13H2,1-3H3;1H
InChIKey
NJSMDXIKAIHPFL-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C(N)(C)C)C1CCCCC1.Cl
Isomeric Smiles
C(=O)(N(C1CCCCC1)CC)C(N)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1298661
LogD (pH = 7.4)
0.39773902
Log P
1.6505426
Molar Refractivity
62.589
Polarizability
24.838331
Polar Surface Area
46.33
Rotatable Bonds
3
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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