Molecule

ID:116560

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃ClN₄
Molecular Mass
200.66862
Exact Mass
200.08287412
Charge
0
InChI
InChI=1S/C8H13ClN4/c9-6-8-10-11-12-13(8)7-4-2-1-3-5-7/h7H,1-6H2
InChIKey
NZFAKRBFJHGTDE-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnnn1C1CCCCC1
Isomeric Smiles
n1(c(nnn1)CCl)C1CCCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8123907
LogD (pH = 7.4)
1.8123908
Log P
1.8123908
Molar Refractivity
63.7427
Polarizability
19.364904
Polar Surface Area
43.6
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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