Molecule

ID:55436

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈ClN₅O₂S
Molecular Mass
307.80022
Exact Mass
307.08697352
Charge
0
InChI
InChI=1S/C10H17N5O2S.ClH/c11-2-9-18(16,17)15-7-5-14(6-8-15)10-12-3-1-4-13-10;/h1,3-4H,2,5-9,11H2;1H
InChIKey
NNBAXXNQQTUHPS-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)N1CCN(CC1)c1ncccn1.Cl
Isomeric Smiles
S(=O)(=O)(N1CCN(c2ncccn2)CC1)CCN.Cl
Calculated Properties
JChem
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-3.9301665
LogD (pH = 7.4)
-2.3215292
Log P
-1.2391765
Molar Refractivity
69.0928
Polarizability
26.904728
Polar Surface Area
92.42
Rotatable Bonds
3
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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