Molecule

ID:70012

General Information
Structure
MolImage
Molecular Formula
C₈H₃N₃O₂
Molecular Mass
173.12832
Exact Mass
173.02252635
Charge
0
InChI
InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H
InChIKey
UZJZIZFCQFZDHP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc(c1C#N)[N+](=O)[O-]
Isomeric Smiles
C(#N)c1c(C#N)c(ccc1)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6254224
LogD (pH = 7.4)
1.6254224
Log P
1.6254224
Molar Refractivity
43.8217
Polarizability
15.923402
Polar Surface Area
90.72
Rotatable Bonds
1
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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