Molecule

ID:14625

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₂S
Molecular Mass
255.33658
Exact Mass
255.1041478
Charge
0
InChI
InChI=1S/C11H17N3O2S/c1-13-5-7-14(8-6-13)17(15,16)11-4-2-3-10(12)9-11/h2-4,9H,5-8,12H2,1H3
InChIKey
LENADRWBVLFBSX-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)S(=O)(=O)c1cccc(c1)N
Isomeric Smiles
N1(S(=O)(=O)c2cc(ccc2)N)CCN(CC1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.632546
LogD (pH = 7.4)
0.024738934
Log P
0.044822343
Molar Refractivity
68.7598
Polarizability
26.759474
Polar Surface Area
66.64
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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