Molecule

ID:23404

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇N₃O₂
Molecular Mass
283.32508
Exact Mass
283.1320768
Charge
0
InChI
InChI=1S/C16H17N3O2/c1-11(20)19(2)15-9-7-14(8-10-15)18-16(21)12-3-5-13(17)6-4-12/h3-10H,17H2,1-2H3,(H,18,21)
InChIKey
HLHGHKOWUKJIAD-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)NC(=O)c1ccc(cc1)N)C(=O)C
Isomeric Smiles
C(=O)(Nc1ccc(N(C(=O)C)C)cc1)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
12.351797
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.3370354
LogD (pH = 7.4)
1.3379645
Log P
1.3379811
Molar Refractivity
84.2708
Polarizability
30.793365
Polar Surface Area
75.43
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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