Molecule
ID:69893
General Information
Molecular Formula
C₆H₇N₃O₂
Molecular Mass
153.13868
Exact Mass
153.05382648
Charge
0
InChI
InChI=1S/C6H7N3O2/c1-4-6(9(10)11)5(7)2-3-8-4/h2-3H,1H3,(H2,7,8)
InChIKey
PWMOQGXCXFHJMF-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1c(N)ccnc1C
Isomeric Smiles
c1(c(c(ccn1)N)[N+](=O)[O-])C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.35541543
LogD (pH = 7.4)
0.6425891
Log P
0.6480018
Molar Refractivity
39.5135
Polarizability
14.273566
Polar Surface Area
82.05
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
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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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