Molecule

ID:9446

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO
Molecular Mass
209.24324
Exact Mass
209.08406398
Charge
0
InChI
InChI=1S/C14H11NO/c15-11-10-12-6-8-14(9-7-12)16-13-4-2-1-3-5-13/h1-9H,10H2
InChIKey
PCOVIPKFOQOPEH-UHFFFAOYSA-N
Canonic Smiles
N#CCc1ccc(cc1)Oc1ccccc1
Isomeric Smiles
c1c(ccc(c1)CC#N)Oc1ccccc1
Calculated Properties
JChem
Acid pKa
14.128198
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1692302
LogD (pH = 7.4)
3.16923
Log P
3.1692302
Molar Refractivity
62.5857
Polarizability
24.196938
Polar Surface Area
33.02
Rotatable Bonds
3
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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