Molecule
ID:124361
General Information
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c1-10-7-8-12(9-14)13(10)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
OPRSPHNNWFIJON-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(n1c1ccccc1)C
Isomeric Smiles
n1(c(ccc1C)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.016
LogD (pH = 7.4)
2.016
Log P
2.016
Molar Refractivity
67.4216
Polarizability
22.002274
Polar Surface Area
22.0
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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