Molecule

ID:59260

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀N₂
Molecular Mass
110.157
Exact Mass
110.08439833
Charge
0
InChI
InChI=1S/C6H10N2/c1-5(2)6-3-4-7-8-6/h3-5H,1-2H3,(H,7,8)
InChIKey
ZICRALLMHKILDG-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccn[nH]1)C
Isomeric Smiles
n1[nH]c(cc1)C(C)C
Calculated Properties
JChem
Acid pKa
15.188526
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3640399
LogD (pH = 7.4)
1.3644807
Log P
1.3644863
Molar Refractivity
33.8907
Polarizability
12.578502
Polar Surface Area
28.68
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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