Molecule

ID:23634

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₅N₃O₂
Molecular Mass
233.2664
Exact Mass
233.11642674
Charge
0
InChI
InChI=1S/C12H15N3O2/c13-14-12(17)10-6-11(16)15(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)
InChIKey
XHZSIPQGQQCXRH-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C1CN(C(=O)C1)Cc1ccccc1
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)NN)Cc1ccccc1
Calculated Properties
JChem
Acid pKa
12.757823
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.35748032
LogD (pH = 7.4)
-0.35624397
Log P
-0.35622644
Molar Refractivity
64.1594
Polarizability
24.500399
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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