Molecule

ID:61014

General Information
Structure
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-2-4-7-6(3-1)5-8-9-7/h5H,1-4H2,(H,8,9)
InChIKey
GDSQTWDUCDSZEY-UHFFFAOYSA-N
Canonic Smiles
C1CCc2c(C1)n[nH]c2
Isomeric Smiles
n1[nH]cc2c1CCCC2
Calculated Properties
JChem
Acid pKa
15.589796
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4933958
LogD (pH = 7.4)
1.4937729
Log P
1.4937776
Molar Refractivity
37.2591
Polarizability
13.612754
Polar Surface Area
28.68
Rotatable Bonds
0
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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