Molecule

ID:48973

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O
Molecular Mass
246.77682
Exact Mass
246.14989105
Charge
0
InChI
InChI=1S/C12H22N2O.ClH/c15-12(11-6-5-7-13-10-11)14-8-3-1-2-4-9-14;/h11,13H,1-10H2;1H
InChIKey
BKOXEBIETPDRRX-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCCC1)C1CCCNC1.Cl
Isomeric Smiles
C(=O)(N1CCCCCC1)C1CNCCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2145128
LogD (pH = 7.4)
-1.1960803
Log P
0.97148395
Molar Refractivity
61.2799
Polarizability
24.10781
Polar Surface Area
32.34
Rotatable Bonds
1
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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