Molecule

ID:48154

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂O
Molecular Mass
243.1739
Exact Mass
242.09526863
Charge
0
InChI
InChI=1S/C9H18N2O.2ClH/c12-9-2-4-11(7-9)6-8-1-3-10-5-8;;/h8-10,12H,1-7H2;2*1H
InChIKey
DXYDSIGDVKQGLS-UHFFFAOYSA-N
Canonic Smiles
OC1CCN(C1)CC1CNCC1.Cl.Cl
Isomeric Smiles
N1(CC2CNCC2)CC(CC1)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
14.847699
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-6.873752
LogD (pH = 7.4)
-5.034511
Log P
-0.8503837
Molar Refractivity
49.1216
Polarizability
19.520456
Polar Surface Area
35.5
Rotatable Bonds
2
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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