Molecule
ID:16388
General Information
Molecular Formula
C₈H₆ClN₅O₂
Molecular Mass
239.61854
Exact Mass
239.02100214
Charge
0
InChI
InChI=1S/C8H6ClN5O2/c9-5-8-10-11-12-13(8)6-1-3-7(4-2-6)14(15)16/h1-4H,5H2
InChIKey
UDRUPPHUONOWEL-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnnn1c1ccc(cc1)[N+](=O)[O-]
Isomeric Smiles
n1(c2ccc(cc2)[N+](=O)[O-])c(nnn1)CCl
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.6110629
LogD (pH = 7.4)
1.6110629
Log P
1.6110629
Molar Refractivity
59.5115
Polarizability
21.332897
Polar Surface Area
89.42
Rotatable Bonds
3
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
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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