Molecule

ID:47983

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂O
Molecular Mass
243.1739
Exact Mass
242.09526863
Charge
0
InChI
InChI=1S/C9H18N2O.2ClH/c12-9-3-5-11(7-9)8-2-1-4-10-6-8;;/h8-10,12H,1-7H2;2*1H
InChIKey
YDXSOZLRZDJNAH-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)C1CCCNC1.Cl.Cl
Isomeric Smiles
N1(CC(CC1)O)C1CNCCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.846729
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.184323
LogD (pH = 7.4)
-3.0815403
Log P
-0.45056957
Molar Refractivity
48.7826
Polarizability
19.520456
Polar Surface Area
35.5
Rotatable Bonds
1
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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