Molecule

ID:90772

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-12(2)10-5-4-8(7-13)6-9(10)11(14)15-3/h4-7H,1-3H3
InChIKey
SWDNYMOZHXCCGW-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(C=O)ccc1N(C)C
Isomeric Smiles
O(C(=O)c1c(ccc(c1)C=O)N(C)C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.797267
LogD (pH = 7.4)
1.797269
Log P
1.797269
Molar Refractivity
59.0959
Polarizability
21.478914
Polar Surface Area
46.61
Rotatable Bonds
4
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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