Molecule

ID:71604

General Information
Structure
MolImage
Molecular Formula
C₈H₂₁Cl₂N₃
Molecular Mass
230.17844
Exact Mass
229.11125305
Charge
0
InChI
InChI=1S/C8H19N3.2ClH/c1-8(9)7-11-5-3-10(2)4-6-11;;/h8H,3-7,9H2,1-2H3;2*1H
InChIKey
RBKUUFJCIONMRZ-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CCN(CC1)C)N.Cl.Cl
Isomeric Smiles
N1(CC(N)C)CCN(CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.8233886
LogD (pH = 7.4)
-3.2254703
Log P
-0.34311974
Molar Refractivity
48.4068
Polarizability
19.332188
Polar Surface Area
32.5
Rotatable Bonds
2
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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