Molecule

ID:37476

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N
Molecular Mass
157.21174
Exact Mass
157.08914936
Charge
0
InChI
InChI=1S/C11H11N/c1-2-6-10-8(4-1)9-5-3-7-11(9)12-10/h1-2,4,6,12H,3,5,7H2
InChIKey
HZDXFZHFEASSBM-UHFFFAOYSA-N
Canonic Smiles
C1Cc2c(C1)c1c([nH]2)cccc1
Isomeric Smiles
c1ccc2c(c1)c1c([nH]2)CCC1
Calculated Properties
JChem
Acid pKa
17.272215
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.843787
LogD (pH = 7.4)
2.843787
Log P
2.843787
Molar Refractivity
50.0572
Polarizability
20.275581
Polar Surface Area
15.79
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
References
Bioactivity
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