Molecule

ID:88075

General Information
Structure
MolImage
Molecular Formula
C₉H₆N₂O₂
Molecular Mass
174.15614
Exact Mass
174.04292744
Charge
0
InChI
InChI=1S/C9H6N2O2/c12-11(13)9-5-1-4-8-7(9)3-2-6-10-8/h1-6H
InChIKey
NDDZXHOCOKCNBM-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc2c1cccn2
Isomeric Smiles
n1cccc2c(cccc12)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0708256
LogD (pH = 7.4)
2.070884
Log P
2.0708847
Molar Refractivity
46.2998
Polarizability
18.803692
Polar Surface Area
56.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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