Molecule

ID:60367

General Information
Structure
Molecular Formula
C₁₂H₁₅N₃O₂
Molecular Mass
233.2664
Exact Mass
233.11642674
Charge
0
InChI
InChI=1S/C12H15N3O2/c1-8-3-2-4-10(5-8)15-7-9(6-11(15)16)12(17)14-13/h2-5,9H,6-7,13H2,1H3,(H,14,17)
InChIKey
QUKCVJUALOCBKQ-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CC(=O)N(C1)c1cccc(c1)C
Isomeric Smiles
C1C(=O)N(CC1C(=O)NN)c1cccc(c1)C
Calculated Properties
JChem
Acid pKa
12.678669
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.08942647
LogD (pH = 7.4)
0.0906624
Log P
0.09068027
Molar Refractivity
64.3656
Polarizability
24.415445
Polar Surface Area
75.43
Rotatable Bonds
2
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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