Molecule

ID:20805

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₈Cl₂N₂O
Molecular Mass
265.17942
Exact Mass
264.07961857
Charge
0
InChI
InChI=1S/C11H16N2O.2ClH/c1-2-11(8-13-5-1)14-9-10-3-6-12-7-4-10;;/h1-2,5,8,10,12H,3-4,6-7,9H2;2*1H
InChIKey
OVPVKTDQWVVGNF-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)COc1cccnc1.Cl.Cl
Isomeric Smiles
N1CCC(COc2cnccc2)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5989099
LogD (pH = 7.4)
-2.0693598
Log P
0.7022611
Molar Refractivity
55.3387
Polarizability
21.954481
Polar Surface Area
34.15
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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