Molecule

ID:124916

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅ClN₄
Molecular Mass
214.6952
Exact Mass
214.09852418
Charge
0
InChI
InChI=1S/C9H15ClN4/c1-13-9(11-8(10)12-13)14-6-4-2-3-5-7-14/h2-7H2,1H3
InChIKey
YLVHJJQEPCUEME-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(n(n1)C)N1CCCCCC1
Isomeric Smiles
c1(nc(nn1C)Cl)N1CCCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7103631
LogD (pH = 7.4)
2.7103653
Log P
2.7103653
Molar Refractivity
70.279
Polarizability
21.520975
Polar Surface Area
33.95
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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