Molecule

ID:48010

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂O
Molecular Mass
243.1739
Exact Mass
242.09526863
Charge
0
InChI
InChI=1S/C9H18N2O.2ClH/c1-3-10-4-2-9(1)11-5-7-12-8-6-11;;/h9-10H,1-8H2;2*1H
InChIKey
YMFXRJRQDSSRQP-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)N1CCOCC1.Cl.Cl
Isomeric Smiles
N1(C2CCNCC2)CCOCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.6435723
LogD (pH = 7.4)
-3.1279662
Log P
-0.3845728
Molar Refractivity
49.219
Polarizability
19.593437
Polar Surface Area
24.5
Rotatable Bonds
1
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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