Molecule

ID:71990

General Information
Structure
Molecular Formula
C₉H₂₀Cl₂N₂
Molecular Mass
227.1745
Exact Mass
226.10035401
Charge
0
InChI
InChI=1S/C9H18N2.2ClH/c10-9(4-5-9)8-11-6-2-1-3-7-11;;/h1-8,10H2;2*1H
InChIKey
SENSNWVWDFJLBH-UHFFFAOYSA-N
Canonic Smiles
NC1(CC1)CN1CCCCC1.Cl.Cl
Isomeric Smiles
C1C(C1)(N)CN1CCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.1997447
LogD (pH = 7.4)
-1.9703966
Log P
0.63288504
Molar Refractivity
47.1807
Polarizability
18.918522
Polar Surface Area
29.26
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
No Data Available
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Molecule Details
References
Bioactivity
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