Molecule

ID:48833

General Information
Structure
Molecular Formula
C₁₂H₂₅ClN₂O
Molecular Mass
248.7927
Exact Mass
248.16554111
Charge
0
InChI
InChI=1S/C12H24N2O.ClH/c1-4-10-7-5-6-8-14(10)12(15)11(13)9(2)3;/h9-11H,4-8,13H2,1-3H3;1H
InChIKey
QIVHQPUTLNOBPH-UHFFFAOYSA-N
Canonic Smiles
CCC1CCCCN1C(=O)C(C(C)C)N.Cl
Isomeric Smiles
C(=O)(N1C(CC)CCCC1)C(N)C(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.98049986
LogD (pH = 7.4)
0.60427344
Log P
1.738657
Molar Refractivity
62.1933
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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