Molecule

ID:136678

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N
Molecular Mass
157.21174
Exact Mass
157.08914936
Charge
0
InChI
InChI=1S/C11H11N/c1-2-8-4-5-9-6-7-12-11(9)10(8)3-1/h4-7,12H,1-3H2
InChIKey
OGAMTYAYYRHIKY-UHFFFAOYSA-N
Canonic Smiles
C1Cc2c(C1)c1[nH]ccc1cc2
Isomeric Smiles
c1cc2c(c3c1cc[nH]3)CCC2
Calculated Properties
JChem
Acid pKa
16.876385
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
3.0796933
LogD (pH = 7.4)
3.0796933
Log P
3.0796933
Molar Refractivity
50.0257
Polarizability
20.276606
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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