Molecule

ID:48062

General Information
Structure
MolImage
Molecular Formula
C₉H₂₂Cl₂N₂
Molecular Mass
229.19038
Exact Mass
228.11600407
Charge
0
InChI
InChI=1S/C9H20N2.2ClH/c1-11(2)8-6-9-5-3-4-7-10-9;;/h9-10H,3-8H2,1-2H3;2*1H
InChIKey
VFAXZQIYWQHBDM-UHFFFAOYSA-N
Canonic Smiles
CN(CCC1CCCCN1)C.Cl.Cl
Isomeric Smiles
N1C(CCN(C)C)CCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.9037347
LogD (pH = 7.4)
-2.7986066
Log P
0.795859
Molar Refractivity
49.3901
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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