Molecule

ID:83763

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂O₂
Molecular Mass
150.13474
Exact Mass
150.04292744
Charge
0
InChI
InChI=1S/C7H6N2O2/c1-5-2-3-6-7(4-5)9(10)11-8-6/h2-4H,1H3
InChIKey
HHWHSCQAHBHQRP-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1onc2c1cc(C)cc2
Isomeric Smiles
[n+]1(c2c(no1)ccc(c2)C)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5486
LogD (pH = 7.4)
1.5486
Log P
1.5486
Molar Refractivity
60.4764
Polarizability
15.223281
Polar Surface Area
51.49
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
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References
Bioactivity
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