Molecule
ID:44165
General Information
Molecular Formula
C₇H₆N₄
Molecular Mass
146.14934
Exact Mass
146.05924621
Charge
0
InChI
InChI=1S/C7H6N4/c8-5-11-7(9)6-2-1-3-10-4-6/h1-4H,(H2,9,11)
InChIKey
AKRJDDPVSSPCSI-UHFFFAOYSA-N
Canonic Smiles
N#C/N=C(\c1cccnc1)/N
Isomeric Smiles
c1(cccnc1)/C(=N\C#N)/N
Calculated Properties
JChem
Acid pKa
19.211706
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.1203384
LogD (pH = 7.4)
-0.11977279
Log P
-0.11976557
Molar Refractivity
41.0143
Polarizability
14.815239
Polar Surface Area
75.06
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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