Molecule

ID:122915

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c17-15-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)16-15/h1-8H,9-10H2,(H,16,17)
InChIKey
JZDBKFVASLJURR-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2CCc2c1cccc2
Isomeric Smiles
C1(=O)Nc2c(CCc3c1cccc3)cccc2
Calculated Properties
JChem
Acid pKa
12.260129
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.6282475
LogD (pH = 7.4)
3.6282418
Log P
3.6282475
Molar Refractivity
69.8717
Polarizability
25.75134
Polar Surface Area
29.1
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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