Molecule

ID:86926

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N
Molecular Mass
145.20104
Exact Mass
145.08914936
Charge
0
InChI
InChI=1S/C10H11N/c1-3-9-6-4-5-8(2)10(9)7-11/h4-6H,3H2,1-2H3
InChIKey
CTDSMBHUQCGSOQ-UHFFFAOYSA-N
Canonic Smiles
CCc1cccc(c1C#N)C
Isomeric Smiles
N#Cc1c(cccc1CC)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3007534
LogD (pH = 7.4)
3.3007534
Log P
3.3007534
Molar Refractivity
46.463
Polarizability
17.557806
Polar Surface Area
23.79
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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