Molecule

ID:33236

General Information
Structure
Molecular Formula
C₇H₈N₂O₂
Molecular Mass
152.15062
Exact Mass
152.05857751
Charge
0
InChI
InChI=1S/C7H8N2O2/c8-9-6-4-2-1-3-5(6)7(10)11/h1-4,9H,8H2,(H,10,11)
InChIKey
KFGVDCBVGNMCJC-UHFFFAOYSA-N
Canonic Smiles
NNc1ccccc1C(=O)O
Isomeric Smiles
c1(C(=O)O)c(NN)cccc1
Calculated Properties
JChem
Acid pKa
4.023593
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.331802
LogD (pH = 7.4)
-1.2260958
Log P
0.5321362
Molar Refractivity
43.0209
Polarizability
15.239227
Polar Surface Area
75.35
Rotatable Bonds
2
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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