Molecule

ID:7925

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-2-9-3-5-10(6-4-9)7-8-11/h3-6H,2,7H2,1H3
InChIKey
NCPKDFDQDZMXCO-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)CC#N
Isomeric Smiles
c1c(ccc(c1)CC#N)CC
Calculated Properties
JChem
Acid pKa
14.466531
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.626933
LogD (pH = 7.4)
2.626933
Log P
2.626933
Molar Refractivity
45.9871
Polarizability
17.479794
Polar Surface Area
23.79
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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