Molecule

ID:27408

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃O₃S
Molecular Mass
325.42642
Exact Mass
325.14601261
Charge
0
InChI
InChI=1S/C15H23N3O3S/c1-10-8-11(2)14(12(3)9-10)22(20,21)18-6-4-13(5-7-18)15(19)17-16/h8-9,13H,4-7,16H2,1-3H3,(H,17,19)
InChIKey
YPPIBWYCRDGDBE-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CCN(CC1)S(=O)(=O)c1c(C)cc(cc1C)C
Isomeric Smiles
S(=O)(=O)(c1c(cc(cc1C)C)C)N1CCC(C(=O)NN)CC1
Calculated Properties
JChem
Acid pKa
12.284761
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.5340706
LogD (pH = 7.4)
1.5365483
Log P
1.5365852
Molar Refractivity
87.8211
Polarizability
33.880405
Polar Surface Area
92.5
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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