Molecule

ID:42840

General Information
Structure
Molecular Formula
C₁₁H₁₁NO₃
Molecular Mass
205.20994
Exact Mass
205.07389322
Charge
0
InChI
InChI=1S/C11H11NO3/c1-2-14-11(13)10-6-7-5-8(12)3-4-9(7)15-10/h3-6H,2,12H2,1H3
InChIKey
YFFLLDHEEWSHQG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c(o1)ccc(c2)N
Isomeric Smiles
c1(oc2c(c1)cc(N)cc2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5808522
LogD (pH = 7.4)
1.5836929
Log P
1.5837293
Molar Refractivity
56.2509
Polarizability
22.112288
Polar Surface Area
65.46
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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