Molecule

ID:125243

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c1-10(17)16-13-6-7-15-12(9-13)8-11-4-2-3-5-14(11)15/h2-7,9H,8H2,1H3,(H,16,17)
InChIKey
CZIHNRWJTSTCEX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2-c3c(Cc2c1)cccc3
Isomeric Smiles
CC(=O)Nc1ccc2c(Cc3ccccc23)c1
Calculated Properties
JChem
LogD (pH = 7.4)
2.98
LogD (pH = 5.5)
2.98
Log P
2.98
Rotatable Bonds
1
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
14.30
Polar Surface Area
29.10
Polarizability
25.43
Molar Refractivity
69.74
LOG S
-4.36
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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