Molecule

ID:32459

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c1-14-9-6-12-5-8(11)7(9)3-4-10(13)15-2/h3-6H,11H2,1-2H3/b4-3+
InChIKey
FFKKGZUKXYPUMX-ONEGZZNKSA-N
Canonic Smiles
COC(=O)/C=C/c1c(N)cncc1OC
Isomeric Smiles
c1(cncc(c1/C=C/C(=O)OC)N)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.038111784
LogD (pH = 7.4)
0.30576453
Log P
0.311044
Molar Refractivity
56.8357
Polarizability
21.080748
Polar Surface Area
74.44
Rotatable Bonds
4
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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