Molecule

ID:32435

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c1-14-8-5-6-12-10(11)7(8)3-4-9(13)15-2/h3-6H,1-2H3,(H2,11,12)/b4-3+
InChIKey
SESOIJQIRYUXGA-ONEGZZNKSA-N
Canonic Smiles
COC(=O)/C=C/c1c(OC)ccnc1N
Isomeric Smiles
c1cnc(c(c1OC)/C=C/C(=O)OC)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.5498987
LogD (pH = 7.4)
0.22622386
Log P
0.90550154
Molar Refractivity
57.1492
Polarizability
21.078388
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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