Molecule

ID:14801

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇N₃O₂S
Molecular Mass
255.33658
Exact Mass
255.1041478
Charge
0
InChI
InChI=1S/C11H17N3O2S/c1-17(15,16)14-8-6-13(7-9-14)11-4-2-10(12)3-5-11/h2-5H,6-9,12H2,1H3
InChIKey
DFLQDPGZILSRHW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1CCN(CC1)S(=O)(=O)C
Isomeric Smiles
N1(c2ccc(cc2)N)CCN(CC1)S(=O)(=O)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.54864836
LogD (pH = 7.4)
-0.18592633
Log P
-0.17858355
Molar Refractivity
69.1093
Polarizability
26.419542
Polar Surface Area
66.64
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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