Molecule

ID:86127

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₁NO
Molecular Mass
185.22184
Exact Mass
185.08406398
Charge
0
InChI
InChI=1S/C12H11NO/c1-10-4-6-11(7-5-10)13-8-2-3-12(13)9-14/h2-9H,1H3
InChIKey
LASYAEOJPVQNFO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccn1c1ccc(cc1)C
Isomeric Smiles
n1(c2ccc(cc2)C)c(ccc1)C=O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0806892
LogD (pH = 7.4)
3.0806892
Log P
3.0806892
Molar Refractivity
67.3131
Polarizability
22.00106
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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