Molecule

ID:72141

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-3-6-4-5-7-8(6)2/h4-5H,3H2,1-2H3
InChIKey
TYWFOQSRTCOHLB-UHFFFAOYSA-N
Canonic Smiles
CCc1ccnn1C
Isomeric Smiles
n1(c(ccn1)CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1228191
LogD (pH = 7.4)
1.1231849
Log P
1.1231896
Molar Refractivity
44.6351
Polarizability
12.49774
Polar Surface Area
17.82
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
No Data Available
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Molecule Details
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References
Bioactivity
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