Molecule

ID:41435

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c1-4-2-6(10)9-7(11)5(4)3-8/h2H,1H3,(H2,9,10,11)
InChIKey
YRGYYQCOWUULNF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(C)cc(nc1O)O
Isomeric Smiles
c1(c(nc(cc1C)O)O)C#N
Calculated Properties
JChem
Acid pKa
9.794674
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.7068536
LogD (pH = 7.4)
1.7051511
Log P
1.7068753
Molar Refractivity
39.2527
Polarizability
14.29627
Polar Surface Area
77.14
Rotatable Bonds
0
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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