Molecule

ID:92873

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c12-8-9-4-1-2-5-10(9)11-6-3-7-13-11/h1-7H,8,12H2
InChIKey
KUTREPQQCILHIM-UHFFFAOYSA-N
Canonic Smiles
NCc1ccccc1c1ccco1
Isomeric Smiles
o1c(ccc1)c1ccccc1CN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.1907842
LogD (pH = 7.4)
-0.33497846
Log P
1.8064862
Molar Refractivity
52.0585
Polarizability
21.585794
Polar Surface Area
39.16
Rotatable Bonds
2
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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