Molecule

ID:78873

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-5-8-1-3-9(4-2-8)10-6-13-7-11-10/h1-7H
InChIKey
HBWLOCQUWHHKJT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1cocn1
Isomeric Smiles
n1cocc1c1ccc(cc1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6607147
LogD (pH = 7.4)
1.6607152
Log P
1.6607152
Molar Refractivity
48.1156
Polarizability
19.155058
Polar Surface Area
43.1
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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