Molecule

ID:62767

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉N₃O₃
Molecular Mass
277.31896
Exact Mass
277.14264148
Charge
0
InChI
InChI=1S/C14H19N3O3/c1-11(18)17-6-5-16(9-13(10-17)14(19)20)8-12-3-2-4-15-7-12/h2-4,7,13H,5-6,8-10H2,1H3,(H,19,20)
InChIKey
UJRYOEPTQRRQHB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CN(CCN(C1)C(=O)C)Cc1cccnc1
Isomeric Smiles
N1(CC(C(=O)O)CN(Cc2cnccc2)CC1)C(=O)C
Calculated Properties
JChem
Acid pKa
3.3798182
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-3.2717795
LogD (pH = 7.4)
-3.3894978
Log P
-3.2739153
Molar Refractivity
73.606
Polarizability
28.55018
Polar Surface Area
73.74
Rotatable Bonds
3
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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