Molecule

ID:62663

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₃
Molecular Mass
277.31896
Exact Mass
277.14264148
Charge
0
InChI
InChI=1S/C14H19N3O3/c1-9-8-11(5-6-13(19)20)16-14(15-9)12-4-3-7-17(12)10(2)18/h8,12H,3-7H2,1-2H3,(H,19,20)
InChIKey
KCSQDZDXOVQAOD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCc1cc(C)nc(n1)C1CCCN1C(=O)C
Isomeric Smiles
c1(nc(cc(n1)C)CCC(=O)O)C1N(C(=O)C)CCC1
Calculated Properties
JChem
Acid pKa
3.7935753
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.203965
LogD (pH = 7.4)
-2.791472
Log P
0.5071578
Molar Refractivity
72.4095
Polarizability
27.921295
Polar Surface Area
83.39
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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