Molecule

ID:35429

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁ClN₄S
Molecular Mass
218.70704
Exact Mass
218.03929505
Charge
0
InChI
InChI=1S/C7H11ClN4S/c1-11-2-4-12(5-3-11)7-6(8)9-13-10-7/h2-5H2,1H3
InChIKey
ZRMQQSPQSSQVRR-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1nsnc1Cl
Isomeric Smiles
c1(c(nsn1)Cl)N1CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.1496147
LogD (pH = 7.4)
1.7144756
Log P
1.7295402
Molar Refractivity
57.4925
Polarizability
20.460575
Polar Surface Area
32.26
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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