Molecule

ID:47985

General Information
Structure
Molecular Formula
C₉H₂₂Cl₂N₂O
Molecular Mass
245.18978
Exact Mass
244.11091869
Charge
0
InChI
InChI=1S/C9H20N2O.2ClH/c1-2-11(6-7-12)9-4-3-5-10-8-9;;/h9-10,12H,2-8H2,1H3;2*1H
InChIKey
RRVKXYGDOWGVRC-UHFFFAOYSA-N
Canonic Smiles
OCCN(C1CCCNC1)CC.Cl.Cl
Isomeric Smiles
N1CC(N(CCO)CC)CCC1.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.59264
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.733293
LogD (pH = 7.4)
-2.65587
Log P
-0.04196347
Molar Refractivity
50.9646
Polarizability
20.25109
Polar Surface Area
35.5
Rotatable Bonds
4
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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