Molecule

ID:48181

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂Cl₂N₂O
Molecular Mass
257.20048
Exact Mass
256.11091869
Charge
0
InChI
InChI=1S/C10H20N2O.2ClH/c1-2-4-11-10(3-1)9-12-5-7-13-8-6-12;;/h10-11H,1-9H2;2*1H
InChIKey
ABCVMZNQNHVJTG-UHFFFAOYSA-N
Canonic Smiles
C1CCC(NC1)CN1CCOCC1.Cl.Cl
Isomeric Smiles
N1(CC2NCCCC2)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.846287
LogD (pH = 7.4)
-1.9908009
Log P
0.5173988
Molar Refractivity
53.5992
Polarizability
21.43625
Polar Surface Area
24.5
Rotatable Bonds
2
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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