Molecule

ID:69035

General Information
Structure
Molecular Formula
C₈H₈N₂
Molecular Mass
132.16252
Exact Mass
132.06874827
Charge
0
InChI
InChI=1S/C8H8N2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5,9H2
InChIKey
XFKPORAVEUOIRF-UHFFFAOYSA-N
Canonic Smiles
NCc1cccc(c1)C#N
Isomeric Smiles
C(#N)c1cc(ccc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.0132327
LogD (pH = 7.4)
-0.9435569
Log P
0.95511043
Molar Refractivity
40.253
Polarizability
15.538709
Polar Surface Area
49.81
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
References
Bioactivity
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