Molecule

ID:124836

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₅O
Molecular Mass
227.22206
Exact Mass
227.08070993
Charge
0
InChI
InChI=1S/C11H9N5O/c12-8-2-1-3-9(6-8)17-11-5-4-10-14-13-7-16(10)15-11/h1-7H,12H2
InChIKey
RISGMEWMPZNHHL-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)Oc1ccc2n(n1)cnn2
Isomeric Smiles
n12nc(ccc1nnc2)Oc1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.95464927
LogD (pH = 7.4)
0.9582931
Log P
0.9583397
Molar Refractivity
75.2445
Polarizability
23.00352
Polar Surface Area
78.33
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
No Data Available
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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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