Molecule

ID:66885

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃OS
Molecular Mass
255.7239
Exact Mass
255.02331064
Charge
0
InChI
InChI=1S/C10H10ClN3OS/c11-10-12-7-1-6-16-8(7)9(13-10)14-2-4-15-5-3-14/h1,6H,2-5H2
InChIKey
HKQMXHKNXRNUCF-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(N2CCOCC2)c2c(n1)ccs2
Isomeric Smiles
c1(nc2c(c(n1)N1CCOCC1)scc2)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7041454
LogD (pH = 7.4)
2.7041616
Log P
2.704162
Molar Refractivity
65.0056
Polarizability
25.216578
Polar Surface Area
38.25
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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