Molecule

ID:42166

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO₂
Molecular Mass
175.18396
Exact Mass
175.06332853
Charge
0
InChI
InChI=1S/C10H9NO2/c11-5-8-1-3-9(4-2-8)12-6-10-7-13-10/h1-4,10H,6-7H2
InChIKey
WREXVDPOLDOXJL-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)OCC1OC1
Isomeric Smiles
O1C(C1)COc1ccc(cc1)C#N
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5129373
LogD (pH = 7.4)
1.5129373
Log P
1.5129373
Molar Refractivity
46.9875
Polarizability
18.325567
Polar Surface Area
45.55
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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