Molecule

ID:18786

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-6-7-1-2-9-8(5-7)3-4-10-9/h1-6,10H
InChIKey
ADZUEEUKBYCSEY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc2c(c1)cc[nH]2
Isomeric Smiles
c12c([nH]cc1)ccc(c2)C=O
Calculated Properties
JChem
Acid pKa
15.885207
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7845101
LogD (pH = 7.4)
1.7845101
Log P
1.7845101
Molar Refractivity
43.7285
Polarizability
17.467966
Polar Surface Area
32.86
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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