Molecule

ID:19491

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀Cl₂N₂
Molecular Mass
227.1745
Exact Mass
226.10035401
Charge
0
InChI
InChI=1S/C9H18N2.2ClH/c1-11(2)9-5-7-3-4-8(6-9)10-7;;/h7-10H,3-6H2,1-2H3;2*1H
InChIKey
GUQIZKQJDQKHRJ-UHFFFAOYSA-N
Canonic Smiles
CN(C1CC2CCC(C1)N2)C.Cl.Cl
Isomeric Smiles
C1(CC2NC(C1)CC2)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.3710957
LogD (pH = 7.4)
-3.5102344
Log P
0.35925925
Molar Refractivity
47.0259
Polarizability
18.918522
Polar Surface Area
15.27
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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