Molecule

ID:65778

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₄O₂
Molecular Mass
182.1799
Exact Mass
182.08037558
Charge
0
InChI
InChI=1S/C7H10N4O2/c8-5-1-6(2-5)10-3-7(9-4-10)11(12)13/h3-6H,1-2,8H2/t5-,6-
InChIKey
RNVXOAVJOJVPQT-IZLXSQMJSA-N
Canonic Smiles
N[C@@H]1C[C@H](C1)n1cnc(c1)[N+](=O)[O-]
Isomeric Smiles
c1nc(cn1[C@@H]1C[C@H](C1)N)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.1417046
LogD (pH = 7.4)
-2.7698302
Log P
-0.116161555
Molar Refractivity
46.5997
Polarizability
17.191607
Polar Surface Area
89.66
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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