Molecule

ID:63924

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₂
Molecular Mass
173.16808
Exact Mass
173.04767847
Charge
0
InChI
InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13)
InChIKey
ZIPLFLRGHZAXSJ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1ccnc2
Isomeric Smiles
c1(C(=O)O)c2c(cncc2)ccc1
Calculated Properties
JChem
Acid pKa
2.4292984
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.20918842
LogD (pH = 7.4)
-1.7522519
Log P
0.3478889
Molar Refractivity
47.6075
Polarizability
19.266699
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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