Molecule

ID:33218

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅N₃O₂
Molecular Mass
269.2985
Exact Mass
269.11642674
Charge
0
InChI
InChI=1S/C15H15N3O2/c1-10-4-2-5-11(8-10)14(19)17-13-7-3-6-12(9-13)15(20)18-16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
InChIKey
CVWOGFBYRMAIQV-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1cccc(c1)NC(=O)c1cccc(c1)C
Isomeric Smiles
C(=O)(Nc1cc(C(=O)NN)ccc1)c1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
10.903384
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
2.1318567
LogD (pH = 7.4)
2.1325762
Log P
2.1327167
Molar Refractivity
80.1952
Polarizability
28.95585
Polar Surface Area
84.22
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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