Molecule

ID:36430

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c11-10-7(5-12)9(13)6-3-1-2-4-8(6)14-10/h1-5H,11H2
InChIKey
TVGIYZVZBKAJRR-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(N)oc2c(c1=O)cccc2
Isomeric Smiles
c1ccc2c(c1)c(=O)c(c(o2)N)C=O
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.59690005
LogD (pH = 7.4)
0.596908
Log P
0.59690803
Molar Refractivity
59.373
Polarizability
18.6856
Polar Surface Area
69.39
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
No Data Available
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Molecule Details
References
Bioactivity
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