Molecule

ID:14366

General Information
Structure
Molecular Formula
C₁₁H₁₅N₃O₃
Molecular Mass
237.2551
Exact Mass
237.11134136
Charge
0
InChI
InChI=1S/C11H15N3O3/c1-7-6-9(13-8(2)12-7)14-10(15)4-3-5-11(16)17/h6H,3-5H2,1-2H3,(H,16,17)(H,12,13,14,15)
InChIKey
IEOPNFTYACHXCN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCC(=O)Nc1cc(C)nc(n1)C
Isomeric Smiles
c1(NC(=O)CCCC(=O)O)cc(nc(n1)C)C
Calculated Properties
JChem
Acid pKa
3.2868373
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.1624253
LogD (pH = 7.4)
-2.5152867
Log P
-0.04565877
Molar Refractivity
62.609
Polarizability
23.072565
Polar Surface Area
92.18
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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