Molecule

ID:52255

General Information
Structure
Molecular Formula
C₁₃H₁₁NO
Molecular Mass
197.23254
Exact Mass
197.08406398
Charge
0
InChI
InChI=1S/C13H11NO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H,14H2
InChIKey
RBKHNGHPZZZJCI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)c1ccccc1
Isomeric Smiles
C(=O)(c1ccc(cc1)N)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6020567
LogD (pH = 7.4)
2.6036525
Log P
2.603673
Molar Refractivity
61.3339
Polarizability
23.144087
Polar Surface Area
43.09
Rotatable Bonds
2
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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