Molecule

ID:70805

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-5-3-4-7(8)6(2)9-5/h3-4H,8H2,1-2H3
InChIKey
WISXXOGOMDYNSN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(n1)C)N
Isomeric Smiles
c1(c(ccc(n1)C)N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.1691219
LogD (pH = 7.4)
0.05156596
Log P
0.18938777
Molar Refractivity
37.7845
Polarizability
14.100557
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
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References
Bioactivity
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