Molecule

ID:53232

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O
Molecular Mass
190.2019
Exact Mass
190.08546096
Charge
0
InChI
InChI=1S/C9H10N4O/c10-4-1-8-12-13-9(14-8)7-2-5-11-6-3-7/h2-3,5-6H,1,4,10H2
InChIKey
KFBJSTPDXNTYIJ-UHFFFAOYSA-N
Canonic Smiles
NCCc1nnc(o1)c1ccncc1
Isomeric Smiles
c1nccc(c1)c1oc(nn1)CCN
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.756247
LogD (pH = 7.4)
-2.6116583
Log P
-0.80226904
Molar Refractivity
62.4281
Polarizability
19.955984
Polar Surface Area
77.83
Rotatable Bonds
3
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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