Molecule

ID:2863

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅
Molecular Mass
149.15328
Exact Mass
149.07014525
Charge
0
InChI
InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,7H2,1H3
InChIKey
HPZMWTNATZPBIH-UHFFFAOYSA-N
Canonic Smiles
Cn1cnc2c(c1N)ncn2
Isomeric Smiles
Cn1cnc2ncnc2c1N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.49851424
LogD (pH = 7.4)
-0.49851152
Log P
-0.4985115
Molar Refractivity
41.8065
Polarizability
15.116616
Polar Surface Area
69.62
Rotatable Bonds
0
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-2.91
LOG S
-1.63
Solubility (Water)
4.33e+00 g/l
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
References
Bioactivity
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