Molecule

ID:75836

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
InChIKey
BFWYZZPDZZGSLJ-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)CN
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.751471
LogD (pH = 7.4)
-1.9043449
Log P
0.2700883
Molar Refractivity
39.2318
Polarizability
14.856571
Polar Surface Area
52.04
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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