Molecule

ID:44327

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₃
Molecular Mass
277.31896
Exact Mass
277.14264148
Charge
0
InChI
InChI=1S/C14H19N3O3/c1-2-20-14(18)13(15-19)17-10-8-16(9-11-17)12-6-4-3-5-7-12/h3-7,19H,2,8-11H2,1H3/b15-13+
InChIKey
GDLQYVMHPHOISI-FYWRMAATSA-N
Canonic Smiles
CCOC(=O)/C(=N\O)/N1CCN(CC1)c1ccccc1
Isomeric Smiles
C(=N\O)(/N1CCN(CC1)c1ccccc1)\C(=O)OCC
Calculated Properties
JChem
Acid pKa
7.500558
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.0017319
LogD (pH = 7.4)
1.7574574
Log P
2.0098128
Molar Refractivity
76.3402
Polarizability
28.817373
Polar Surface Area
65.37
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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