Molecule

ID:62599

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇ClN₄O₂S
Molecular Mass
304.79628
Exact Mass
304.07607448
Charge
0
InChI
InChI=1S/C11H17ClN4O2S/c1-15(2)19(17,18)16-7-3-9(4-8-16)10-11(12)14-6-5-13-10/h5-6,9H,3-4,7-8H2,1-2H3
InChIKey
MSIRNQCHCLOFOK-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)N1CCC(CC1)c1nccnc1Cl)C
Isomeric Smiles
S(=O)(=O)(N1CCC(c2c(nccn2)Cl)CC1)N(C)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
-0.30665183
LogD (pH = 7.4)
-0.30665034
Log P
-0.3066503
Molar Refractivity
74.3684
Polarizability
29.574835
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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