Molecule

ID:77106

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₃NO
Molecular Mass
223.26982
Exact Mass
223.09971404
Charge
0
InChI
InChI=1S/C15H13NO/c1-2-17-15-9-7-14(8-10-15)13-5-3-12(11-16)4-6-13/h3-10H,2H2,1H3
InChIKey
VETJRGXWDLHERN-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)c1ccc(cc1)C#N
Isomeric Smiles
O(c1ccc(cc1)c1ccc(cc1)C#N)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.675704
LogD (pH = 7.4)
3.675704
Log P
3.675704
Molar Refractivity
68.1276
Polarizability
27.550903
Polar Surface Area
33.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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
Bioactivity
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