Molecule

ID:39229

General Information
Structure
Molecular Formula
C₁₅H₁₉N₃O₄
Molecular Mass
305.32906
Exact Mass
305.1375561
Charge
0
InChI
InChI=1S/C15H19N3O4/c1-15(2,3)22-14(21)18-11(13(19)20)7-9-8-17-12-10(9)5-4-6-16-12/h4-6,8,11H,7H2,1-3H3,(H,16,17)(H,18,21)(H,19,20)
InChIKey
FDLAXTKUGQAPTA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1c[nH]c2c1cccn2)NC(=O)OC(C)(C)C
Isomeric Smiles
c1cnc2c(c1)c(c[nH]2)CC(C(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.7826269
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.29467037
LogD (pH = 7.4)
-1.3370379
Log P
1.151513
Molar Refractivity
78.8715
Polarizability
31.156666
Polar Surface Area
104.31
Rotatable Bonds
6
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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