Molecule

ID:80608

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
InChIKey
BXQDLEHCXQQSCH-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1ccno1
Isomeric Smiles
n1ccc(c2ccccc2)o1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9050152
LogD (pH = 7.4)
1.9050176
Log P
1.9050177
Molar Refractivity
42.5137
Polarizability
17.299297
Polar Surface Area
26.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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