Molecule

ID:92190

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁NO
Molecular Mass
209.24324
Exact Mass
209.08406398
Charge
0
InChI
InChI=1S/C14H11NO/c15-10-12-6-4-5-7-13(12)11-16-14-8-2-1-3-9-14/h1-9H,11H2
InChIKey
RFZUYPHTPWGIJU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccccc1COc1ccccc1
Isomeric Smiles
N#Cc1ccccc1COc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.396144
LogD (pH = 7.4)
3.396144
Log P
3.396144
Molar Refractivity
62.8554
Polarizability
24.289267
Polar Surface Area
33.02
Rotatable Bonds
3
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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