Molecule

ID:52261

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N₃O₂
Molecular Mass
255.27192
Exact Mass
255.10077667
Charge
0
InChI
InChI=1S/C14H13N3O2/c18-13(11-7-3-1-4-8-11)16-17-14(19)15-12-9-5-2-6-10-12/h1-10H,(H,16,18)(H2,15,17,19)
InChIKey
WPMMTXFVYJICDR-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccccc1)NNC(=O)c1ccccc1
Isomeric Smiles
N(NC(=O)Nc1ccccc1)C(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
12.689016
H Acceptors
2
H Donor
3
LogD (pH = 5.5)
2.1421356
LogD (pH = 7.4)
2.1421337
Log P
2.1421356
Molar Refractivity
73.1341
Polarizability
26.93
Polar Surface Area
70.23
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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