Molecule

ID:30282

General Information
Structure
Molecular Formula
C₁₀H₁₀N₂O₃
Molecular Mass
206.198
Exact Mass
206.06914219
Charge
0
InChI
InChI=1S/C10H10N2O3/c11-7-3-1-2-6-8(7)10(15)12(4-5-13)9(6)14/h1-3,13H,4-5,11H2
InChIKey
ZFJCEBBQMMSHIT-UHFFFAOYSA-N
Canonic Smiles
OCCN1C(=O)c2c(C1=O)c(N)ccc2
Isomeric Smiles
C1(=O)N(C(=O)c2c1c(N)ccc2)CCO
Calculated Properties
JChem
Acid pKa
15.55345
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.048017796
LogD (pH = 7.4)
0.048070464
Log P
0.04807114
Molar Refractivity
55.2042
Polarizability
19.65237
Polar Surface Area
83.63
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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