Molecule

ID:37871

General Information
Structure
Molecular Formula
C₁₅H₂₃N₃O₄
Molecular Mass
309.36082
Exact Mass
309.16885623
Charge
0
InChI
InChI=1S/C15H23N3O4/c1-6-21-13(19)12-10-9-18(14(20)22-15(2,3)4)8-7-11(10)17(5)16-12/h6-9H2,1-5H3
InChIKey
QJWBZDDJPIXERQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nn(c2c1CN(CC2)C(=O)OC(C)(C)C)C
Isomeric Smiles
C1CN(Cc2c1n(nc2C(=O)OCC)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.519971
LogD (pH = 7.4)
1.5199711
Log P
1.5199711
Molar Refractivity
92.9039
Polarizability
31.146818
Polar Surface Area
73.66
Rotatable Bonds
5
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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