Molecule

ID:123520

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c1-13(2)7-10(14)12-9-6-4-3-5-8(9)11/h3-6H,7,11H2,1-2H3,(H,12,14)
InChIKey
UPOPLDABWIZNDH-UHFFFAOYSA-N
Canonic Smiles
CN(CC(=O)Nc1ccccc1N)C
Isomeric Smiles
C(=O)(Nc1c(N)cccc1)CN(C)C
Calculated Properties
JChem
Acid pKa
13.338462
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4303199
LogD (pH = 7.4)
0.061376054
Log P
0.27352872
Molar Refractivity
59.0504
Polarizability
21.556541
Polar Surface Area
58.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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