Molecule

ID:90049

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4H,8-9H2,1H3
InChIKey
AXNUJYHFQHQZBE-UHFFFAOYSA-N
Canonic Smiles
Nc1c(C)cccc1N
Isomeric Smiles
Nc1c(cccc1N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.74897796
LogD (pH = 7.4)
0.82771206
Log P
0.8288153
Molar Refractivity
40.5
Polarizability
14.381646
Polar Surface Area
52.04
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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