Molecule

ID:7767

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀N₂O₂
Molecular Mass
166.1772
Exact Mass
166.07422757
Charge
0
InChI
InChI=1S/C8H10N2O2/c9-10-8(12)7(11)6-4-2-1-3-5-6/h1-5,7,11H,9H2,(H,10,12)
InChIKey
FWTGUGVETHVGTL-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)C(c1ccccc1)O
Isomeric Smiles
C(=O)(C(c1ccccc1)O)NN
Calculated Properties
JChem
Acid pKa
12.034566
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.20835404
LogD (pH = 7.4)
-0.20760188
Log P
-0.20758267
Molar Refractivity
45.0101
Polarizability
17.268787
Polar Surface Area
75.35
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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