Molecule

ID:24595

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-2-7-6-8-3-5-9(7)4-1/h1-2,4,8H,3,5-6H2
InChIKey
YZBDXDPBLIQCJY-UHFFFAOYSA-N
Canonic Smiles
N1CCn2c(C1)ccc2
Isomeric Smiles
n12c(ccc1)CNCC2
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0693886
LogD (pH = 7.4)
-0.34952587
Log P
0.583631
Molar Refractivity
36.87
Polarizability
14.278182
Polar Surface Area
16.96
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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