Molecule
ID:67045
General Information
Molecular Formula
C₇H₉N₃
Molecular Mass
135.16646
Exact Mass
135.0796473
Charge
0
InChI
InChI=1S/C7H9N3/c1-2-8-3-6-4-9-5-10-7(1)6/h4-5,8H,1-3H2
InChIKey
STXKJIIHKFGUCY-UHFFFAOYSA-N
Canonic Smiles
C1NCc2c(C1)ncnc2
Isomeric Smiles
c1nc2c(cn1)CNCC2
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.1087432
LogD (pH = 7.4)
-1.4276527
Log P
-0.3222038
Molar Refractivity
38.7021
Polarizability
14.776032
Polar Surface Area
37.81
Rotatable Bonds
0
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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