Molecule

ID:64566

General Information
Structure
MolImage
Molecular Formula
C₉H₇NO
Molecular Mass
145.15798
Exact Mass
145.05276385
Charge
0
InChI
InChI=1S/C9H7NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-6,11H
InChIKey
WCRKBMABEPCYII-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)cncc2
Isomeric Smiles
c12cc(ccc1ccnc2)O
Calculated Properties
JChem
Acid pKa
9.537814
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2131209
LogD (pH = 7.4)
1.4342337
Log P
1.4414848
Molar Refractivity
42.3322
Polarizability
17.587229
Polar Surface Area
33.12
Rotatable Bonds
0
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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