Molecule

ID:114754

General Information
Structure
MolImage
Molecular Formula
C₇H₈N₄
Molecular Mass
148.16522
Exact Mass
148.07489628
Charge
0
InChI
InChI=1S/C7H8N4/c8-5-7-10-9-6-3-1-2-4-11(6)7/h1-4H,5,8H2
InChIKey
NXNFOXNYOMPDMW-UHFFFAOYSA-N
Canonic Smiles
NCc1nnc2n1cccc2
Isomeric Smiles
n12c(nnc1cccc2)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.3748693
LogD (pH = 7.4)
-1.680441
Log P
-1.0019673
Molar Refractivity
43.953
Polarizability
15.770971
Polar Surface Area
56.21
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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