Molecule

ID:78920

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO
Molecular Mass
169.17938
Exact Mass
169.05276385
Charge
0
InChI
InChI=1S/C11H7NO/c12-7-9-3-1-2-8-4-5-10(13)6-11(8)9/h1-6,13H
InChIKey
UDGWTXRLMHXQKB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cccc2c1cc(O)cc2
Isomeric Smiles
N#Cc1cccc2ccc(cc12)O
Calculated Properties
JChem
Acid pKa
8.545827
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5148652
LogD (pH = 7.4)
2.4854586
Log P
2.5152535
Molar Refractivity
50.2107
Polarizability
20.3225
Polar Surface Area
44.02
Rotatable Bonds
0
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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