Molecule

ID:79717

General Information
Structure
MolImage
Molecular Formula
C₇H₁₀N₂
Molecular Mass
122.1677
Exact Mass
122.08439833
Charge
0
InChI
InChI=1S/C7H10N2/c1-2-6-4-3-5-7(8)9-6/h3-5H,2H2,1H3,(H2,8,9)
InChIKey
JXKAUUVMXZIJNZ-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(n1)N
Isomeric Smiles
n1c(cccc1CC)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.2925456
LogD (pH = 7.4)
1.0432858
Log P
1.353011
Molar Refractivity
38.1334
Polarizability
14.178187
Polar Surface Area
38.91
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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