Molecule

ID:79037

General Information
Structure
MolImage
Molecular Formula
C₇H₈ClN₃O₂
Molecular Mass
201.61032
Exact Mass
201.03050419
Charge
0
InChI
InChI=1S/C7H8ClN3O2/c1-10(9)6-3-2-5(8)4-7(6)11(12)13/h2-4H,9H2,1H3
InChIKey
HFQXJEUTSLSDEC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)[N+](=O)[O-])N(N)C
Isomeric Smiles
[N+](=O)(c1cc(ccc1N(N)C)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8034662
LogD (pH = 7.4)
1.953541
Log P
1.9558334
Molar Refractivity
61.6995
Polarizability
18.5523
Polar Surface Area
75.08
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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