Molecule

ID:48008

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂Cl₂N₂
Molecular Mass
229.19038
Exact Mass
228.11600407
Charge
0
InChI
InChI=1S/C9H20N2.2ClH/c1-3-11(4-2)9-5-7-10-8-6-9;;/h9-10H,3-8H2,1-2H3;2*1H
InChIKey
JJGBVMJOHGBPJJ-UHFFFAOYSA-N
Canonic Smiles
CCN(C1CCNCC1)CC.Cl.Cl
Isomeric Smiles
N1CCC(N(CC)CC)CC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-5.317313
LogD (pH = 7.4)
-3.2592852
Log P
0.5475436
Molar Refractivity
49.6417
Polarizability
19.657892
Polar Surface Area
15.27
Rotatable Bonds
3
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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