Molecule

ID:63508

General Information
Structure
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-6-2-3-7(4-8)5-9-6/h2-3,5H,4,8H2,1H3
InChIKey
NZPFQOXRHLUPRT-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(nc1)C
Isomeric Smiles
c1(CN)cnc(C)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9479113
LogD (pH = 7.4)
-1.7822026
Log P
0.012711994
Molar Refractivity
36.966
Polarizability
14.57109
Polar Surface Area
38.91
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
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References
Bioactivity
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