Molecule

ID:30892

General Information
Structure
Molecular Formula
C₈H₂₂Cl₃N₃
Molecular Mass
266.63938
Exact Mass
265.08793076
Charge
0
InChI
InChI=1S/C8H19N3.3ClH/c1-2-10-5-7-11(4-3-9)8-6-10;;;/h2-9H2,1H3;3*1H
InChIKey
OXIGUQJNSMBSGB-UHFFFAOYSA-N
Canonic Smiles
NCCN1CCN(CC1)CC.Cl.Cl.Cl
Isomeric Smiles
N1(CCN(CC1)CCN)CC.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.213878
LogD (pH = 7.4)
-3.4326096
Log P
-0.4028868
Molar Refractivity
48.7366
Polarizability
19.332188
Polar Surface Area
32.5
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
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Molecule Details
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References
Bioactivity
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