Molecule

ID:123694

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂ClN₃
Molecular Mass
231.76548
Exact Mass
231.1502254
Charge
0
InChI
InChI=1S/C11H21N3.ClH/c1-4-5-6-7-8-14-10(3)11(12)9(2)13-14;/h4-8,12H2,1-3H3;1H
InChIKey
QUIOSJWJWNZTPZ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCn1nc(c(c1C)N)C.Cl
Isomeric Smiles
n1n(c(c(c1C)N)C)CCCCCC.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1151392
LogD (pH = 7.4)
2.1161351
Log P
2.1161478
Molar Refractivity
72.4786
Polarizability
22.765335
Polar Surface Area
43.84
Rotatable Bonds
5
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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