Molecule

ID:92992

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃N
Molecular Mass
123.19552
Exact Mass
123.10479942
Charge
0
InChI
InChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3
InChIKey
ZEBBLOXDLGIMEG-UHFFFAOYSA-N
Canonic Smiles
CCc1c(C)c[nH]c1C
Isomeric Smiles
[nH]1cc(c(c1C)CC)C
Calculated Properties
JChem
Acid pKa
18.282375
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.7241027
LogD (pH = 7.4)
2.7241027
Log P
2.7241027
Molar Refractivity
40.6499
Polarizability
15.1860895
Polar Surface Area
15.79
Rotatable Bonds
1
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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