Molecule

ID:65981

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅ClN₄
Molecular Mass
238.7166
Exact Mass
238.09852418
Charge
0
InChI
InChI=1S/C11H14N4.ClH/c1-2-10-11(13-5-1)14-8-15(10)9-3-6-12-7-4-9;/h1-2,5,8-9,12H,3-4,6-7H2;1H
InChIKey
FZSFTGNVKPYFHT-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)n1cnc2c1cccn2.Cl
Isomeric Smiles
n1(cnc2c1cccn2)C1CCNCC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9927368
LogD (pH = 7.4)
-2.378108
Log P
0.23427038
Molar Refractivity
59.4375
Polarizability
23.022621
Polar Surface Area
42.74
Rotatable Bonds
1
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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