Molecule

ID:85185

General Information
Structure
MolImage
Molecular Formula
C₈H₇NO
Molecular Mass
133.14728
Exact Mass
133.05276385
Charge
0
InChI
InChI=1S/C8H7NO/c1-6-2-3-7-8(4-6)10-5-9-7/h2-5H,1H3
InChIKey
SZWNDAUMBWLYOQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)ocn2
Isomeric Smiles
n1coc2cc(ccc12)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8332838
LogD (pH = 7.4)
1.8332868
Log P
1.8332868
Molar Refractivity
37.7643
Polarizability
15.604875
Polar Surface Area
26.03
Rotatable Bonds
0
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
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References
Bioactivity
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