Molecule

ID:77107

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO
Molecular Mass
209.24324
Exact Mass
209.08406398
Charge
0
InChI
InChI=1S/C14H11NO/c1-16-14-8-6-13(7-9-14)12-4-2-11(10-15)3-5-12/h2-9H,1H3
InChIKey
RINYLKSNGRLNCU-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cc1)C#N
Isomeric Smiles
O(c1ccc(cc1)c1ccc(cc1)C#N)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.318896
LogD (pH = 7.4)
3.318896
Log P
3.318896
Molar Refractivity
63.379
Polarizability
25.704065
Polar Surface Area
33.02
Rotatable Bonds
2
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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