Molecule

ID:57760

General Information
Structure
Molecular Formula
C₁₄H₁₉N₃O₃S
Molecular Mass
309.38396
Exact Mass
309.11471248
Charge
0
InChI
InChI=1S/C14H19N3O3S/c1-11(18)10-16-6-8-17(9-7-16)14-12-4-2-3-5-13(12)21(19,20)15-14/h2-5,11,18H,6-10H2,1H3
InChIKey
IWZVKZFFBXLUEA-UHFFFAOYSA-N
Canonic Smiles
CC(CN1CCN(CC1)C1=NS(=O)(=O)c2c1cccc2)O
Isomeric Smiles
S1(=O)(=O)N=C(c2c1cccc2)N1CCN(CC1)CC(O)C
Calculated Properties
JChem
Acid pKa
15.287503
H Acceptors
6
H Donor
1
LogD (pH = 5.5)
-0.08489306
LogD (pH = 7.4)
0.17515554
Log P
0.17971642
Molar Refractivity
81.204
Polarizability
31.762396
Polar Surface Area
73.21
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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