Molecule

ID:118523

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₃
Molecular Mass
133.15058
Exact Mass
133.06399724
Charge
0
InChI
InChI=1S/C7H7N3/c8-3-6-1-2-7(4-9)10-5-6/h1-2,5H,3,8H2
InChIKey
ZIFSWCUCJMIKQC-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)C#N
Isomeric Smiles
N#Cc1ncc(cc1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8035073
LogD (pH = 7.4)
-1.5557656
Log P
0.12328834
Molar Refractivity
37.7241
Polarizability
14.628596
Polar Surface Area
62.7
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
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Molecule Details
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References
Bioactivity
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