Molecule

ID:68832

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-5-3-6(2)9-7(8)4-5/h3-4H,1-2H3,(H2,8,9)
InChIKey
BRBUBVKGJRPRRD-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(C)nc(c1)N
Isomeric Smiles
c1(cc(cc(n1)C)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.73884064
LogD (pH = 7.4)
0.21044582
Log P
1.1658965
Molar Refractivity
38.5477
Polarizability
14.099048
Polar Surface Area
38.91
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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