Molecule

ID:62061

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅ClN₄O₂S
Molecular Mass
290.7697
Exact Mass
290.06042442
Charge
0
InChI
InChI=1S/C10H15ClN4O2S/c1-14(2)18(16,17)15-7-3-4-8(15)9-10(11)13-6-5-12-9/h5-6,8H,3-4,7H2,1-2H3
InChIKey
CDERBOGGGVYRRZ-UHFFFAOYSA-N
Canonic Smiles
Clc1nccnc1C1CCCN1S(=O)(=O)N(C)C
Isomeric Smiles
S(=O)(=O)(N1C(c2c(nccn2)Cl)CCC1)N(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.28402525
LogD (pH = 7.4)
-0.2840239
Log P
-0.28402388
Molar Refractivity
69.3574
Polarizability
27.749546
Polar Surface Area
66.4
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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