Molecule

ID:9836

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃N
Molecular Mass
159.22762
Exact Mass
159.10479942
Charge
0
InChI
InChI=1S/C11H13N/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7H,1-3H3
InChIKey
IIZURLNRIMKEDL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(#N)c1ccc(C(C)(C)C)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3743982
LogD (pH = 7.4)
3.3743982
Log P
3.3743982
Molar Refractivity
50.4455
Polarizability
19.481508
Polar Surface Area
23.79
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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