Molecule

ID:69182

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-12-10-6-2-5-9-8(10)4-3-7-11-9/h2-7H,1H3
InChIKey
ZFVRPAOFSPXEIM-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1cccn2
Isomeric Smiles
n1cccc2c(cccc12)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8570802
LogD (pH = 7.4)
1.9715315
Log P
1.9732292
Molar Refractivity
46.4425
Polarizability
19.519701
Polar Surface Area
22.12
Rotatable Bonds
1
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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