Molecule

ID:66843

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClN₂O₂
Molecular Mass
262.77622
Exact Mass
262.14480567
Charge
0
InChI
InChI=1S/C12H22N2O2.ClH/c1-11(2,3)16-10(15)14-6-4-12(5-7-14)8-13-9-12;/h13H,4-9H2,1-3H3;1H
InChIKey
HVLQURGQQISYSQ-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCC2(CC1)CNC2)OC(C)(C)C.Cl
Isomeric Smiles
C1NCC21CCN(CC2)C(=O)OC(C)(C)C.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4132686
LogD (pH = 7.4)
-1.7874163
Log P
0.8104803
Molar Refractivity
62.5744
Polarizability
24.80672
Polar Surface Area
41.57
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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