Molecule
ID:35384
General Information
Molecular Formula
C₁₀H₇NO₃
Molecular Mass
189.16748
Exact Mass
189.04259309
Charge
0
InChI
InChI=1S/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2
InChIKey
LMRDBJZQDUVCQH-UHFFFAOYSA-N
Canonic Smiles
O=CCN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)cccc2)CC=O
Calculated Properties
JChem
Acid pKa
15.980088
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.23646615
LogD (pH = 7.4)
0.23646615
Log P
0.23646615
Molar Refractivity
49.3707
Polarizability
17.9481
Polar Surface Area
54.45
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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