Molecule

ID:86936

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-7-4-8(2)10(6-11)9(3)5-7/h4-5H,1-3H3
InChIKey
SNIZBGQMWRHNDY-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(C)cc(cc1C)C
Isomeric Smiles
N#Cc1c(cc(cc1C)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3696063
LogD (pH = 7.4)
3.3696063
Log P
3.3696063
Molar Refractivity
46.9032
Polarizability
17.477802
Polar Surface Area
23.79
Rotatable Bonds
0
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
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References
Bioactivity
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