Molecule

ID:48841

General Information
Structure
Molecular Formula
C₁₂H₂₅ClN₂O₂
Molecular Mass
264.7921
Exact Mass
264.16045573
Charge
0
InChI
InChI=1S/C12H24N2O2.ClH/c1-9(2)11(13)12(15)14(3)8-10-4-6-16-7-5-10;/h9-11H,4-8,13H2,1-3H3;1H
InChIKey
OOWIXNZSPHXERF-UHFFFAOYSA-N
Canonic Smiles
NC(C(=O)N(CC1CCOCC1)C)C(C)C.Cl
Isomeric Smiles
C(=O)(N(CC1CCOCC1)C)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3485045
LogD (pH = 7.4)
-0.7639878
Log P
0.37098026
Molar Refractivity
64.402
Polarizability
25.531202
Polar Surface Area
55.56
Rotatable Bonds
4
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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