Molecule

ID:37872

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉N₃O₃
Molecular Mass
265.30826
Exact Mass
265.14264148
Charge
0
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(18)16-6-5-11-9(7-16)10(8-17)14-15(11)4/h8H,5-7H2,1-4H3
InChIKey
FGTCVMFRVPGFFS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1nn(c2c1CN(CC2)C(=O)OC(C)(C)C)C
Isomeric Smiles
C1CN(Cc2c1n(nc2C=O)C)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3608803
LogD (pH = 7.4)
1.3608813
Log P
1.3608813
Molar Refractivity
82.7008
Polarizability
26.758738
Polar Surface Area
64.43
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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