Molecule

ID:43892

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7-3-2-4-8-9(12)5-6-11-10(7)8/h2-6H,1H3,(H,11,12)
InChIKey
HTISUYZVEWQIMP-UHFFFAOYSA-N
Canonic Smiles
Oc1ccnc2c1cccc2C
Isomeric Smiles
c12c(nccc1O)c(ccc2)C
Calculated Properties
JChem
Acid pKa
10.921556
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.3399715
LogD (pH = 7.4)
2.340618
Log P
2.3407567
Molar Refractivity
47.0014
Polarizability
19.360003
Polar Surface Area
33.12
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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