Molecule

ID:9849

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁N
Molecular Mass
157.21174
Exact Mass
157.08914936
Charge
0
InChI
InChI=1S/C11H11N/c1-8-3-6-11-10(7-8)5-4-9(2)12-11/h3-7H,1-2H3
InChIKey
JJPSZKIOGBRMHK-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)ccc(n2)C
Isomeric Smiles
Cc1cc2c(cc1)nc(cc2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5664
LogD (pH = 7.4)
2.7722871
Log P
2.775692
Molar Refractivity
49.612
Polarizability
20.601818
Polar Surface Area
12.89
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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