Molecule

ID:43776

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇N₃O₃
Molecular Mass
275.30308
Exact Mass
275.12699142
Charge
0
InChI
InChI=1S/C14H17N3O3/c1-4-20-13(18)11-9(2)17(3)14(19)16-12(11)10-6-5-7-15-8-10/h5-8,12H,4H2,1-3H3,(H,16,19)
InChIKey
WPSFOSVTKRGXRC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1=C(C)N(C(=O)NC1c1cccnc1)C
Isomeric Smiles
C1(=C(N(C(=O)NC1c1cnccc1)C)C)C(=O)OCC
Calculated Properties
JChem
Acid pKa
13.066491
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1824432
LogD (pH = 7.4)
0.24542403
Log P
0.24630599
Molar Refractivity
74.1737
Polarizability
28.17065
Polar Surface Area
71.53
Rotatable Bonds
4
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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