Molecule

ID:33274

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃O
Molecular Mass
193.2456
Exact Mass
193.12151212
Charge
0
InChI
InChI=1S/C10H15N3O/c1-7-5-3-4-6-9(7)12-8(2)10(14)13-11/h3-6,8,12H,11H2,1-2H3,(H,13,14)
InChIKey
XTHHTHBCPUPESA-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(Nc1ccccc1C)C
Isomeric Smiles
C(=O)(C(Nc1c(C)cccc1)C)NN
Calculated Properties
JChem
Acid pKa
13.077116
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
0.9016261
LogD (pH = 7.4)
0.90275925
Log P
0.9027746
Molar Refractivity
58.1778
Polarizability
21.390911
Polar Surface Area
67.15
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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