Molecule

ID:89299

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-10(13)8-3-1-2-7-4-5-11-6-9(7)8/h1-6H,(H,12,13)
InChIKey
VMNZQPRIUSJCOH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1cncc2
Isomeric Smiles
O=C(c1c2c(ccc1)ccnc2)O
Calculated Properties
JChem
Acid pKa
3.736047
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5076919
LogD (pH = 7.4)
-1.9450898
Log P
0.96586853
Molar Refractivity
47.6075
Polarizability
19.2674
Polar Surface Area
50.19
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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