Molecule

ID:123129

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₇N₃O₂S
Molecular Mass
243.32588
Exact Mass
243.1041478
Charge
0
InChI
InChI=1S/C10H17N3O2S/c1-13(16(14,15)9-6-11)8-5-10-4-2-3-7-12-10/h2-4,7H,5-6,8-9,11H2,1H3
InChIKey
RXBGWMUCCAKXBA-UHFFFAOYSA-N
Canonic Smiles
NCCS(=O)(=O)N(CCc1ccccn1)C
Isomeric Smiles
S(=O)(=O)(N(CCc1ncccc1)C)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.6401722
LogD (pH = 7.4)
-1.9903212
Log P
-0.9074067
Molar Refractivity
62.5668
Polarizability
25.487463
Polar Surface Area
76.29
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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