Molecule

ID:16567

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO
Molecular Mass
173.21114
Exact Mass
173.08406398
Charge
0
InChI
InChI=1S/C11H11NO/c1-2-12-7-9(8-13)10-5-3-4-6-11(10)12/h3-8H,2H2,1H3
InChIKey
RUJYZLQXRALDKN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)CC
Isomeric Smiles
c1(cn(c2c1cccc2)CC)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3649943
LogD (pH = 7.4)
2.3649943
Log P
2.3649943
Molar Refractivity
53.3738
Polarizability
21.08336
Polar Surface Area
22.0
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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