Molecule

ID:62905

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀Cl₂N₄O₂S
Molecular Mass
331.2624
Exact Mass
330.06840226
Charge
0
InChI
InChI=1S/C10H18N4O2S.2ClH/c1-17(15,16)14-4-2-9(3-5-14)7-13-8-10(11)6-12-13;;/h6,8-9H,2-5,7,11H2,1H3;2*1H
InChIKey
CLWITBXZAKBZOJ-UHFFFAOYSA-N
Canonic Smiles
Nc1cnn(c1)CC1CCN(CC1)S(=O)(=O)C.Cl.Cl
Isomeric Smiles
S(=O)(=O)(N1CCC(Cn2ncc(c2)N)CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.2185189
LogD (pH = 7.4)
-1.2184806
Log P
-1.2184801
Molar Refractivity
77.8031
Polarizability
25.73345
Polar Surface Area
81.22
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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