Molecule

ID:60154

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c1-9-7-11(8-17)10(2)14-12-5-3-4-6-13(12)16-15(9)14/h3-8,16H,1-2H3
InChIKey
XTIBCEUGIZGZHC-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(C)c2c(c1C)c1ccccc1[nH]2
Isomeric Smiles
[nH]1c2c(cccc2)c2c1c(cc(c2C)C=O)C
Calculated Properties
JChem
Acid pKa
15.032723
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.8302307
LogD (pH = 7.4)
3.8302307
Log P
3.8302307
Molar Refractivity
70.1386
Polarizability
28.614124
Polar Surface Area
32.86
Rotatable Bonds
1
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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