Molecule

ID:23717

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)12(18)15-10-8-9(6-7-14-10)11(17)16(4)19-5/h6-8H,1-5H3,(H,14,15,18)
InChIKey
ZECTXKVADDIPOY-UHFFFAOYSA-N
Canonic Smiles
CON(C(=O)c1ccnc(c1)NC(=O)C(C)(C)C)C
Isomeric Smiles
c1cnc(cc1C(=O)N(C)OC)NC(=O)C(C)(C)C
Calculated Properties
JChem
Acid pKa
11.899385
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8362519
LogD (pH = 7.4)
1.8363584
Log P
1.8363731
Molar Refractivity
73.002
Polarizability
27.086653
Polar Surface Area
71.53
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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