Molecule

ID:90331

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-10(13)8-4-3-7(6-11-8)9-2-1-5-14-9/h1-6H,(H,12,13)
InChIKey
LTWJYKGQIACFMN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cn1)c1ccco1
Isomeric Smiles
n1c(ccc(c1)c1ccco1)C(=O)O
Calculated Properties
JChem
Acid pKa
0.90279526
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.3673037
LogD (pH = 7.4)
-1.8139424
Log P
0.6090624
Molar Refractivity
48.3124
Polarizability
19.585411
Polar Surface Area
63.33
Rotatable Bonds
2
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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