Molecule

ID:10930

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c13-11(14)10-5-4-9(15-10)8-12-6-2-1-3-7-12/h4-5H,1-3,6-8H2,(H,13,14)
InChIKey
FOMTWLBLESUJEU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)CN1CCCCC1
Isomeric Smiles
c1cc(oc1CN1CCCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.6537583
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.3277345
LogD (pH = 7.4)
-1.3636314
Log P
-1.3284459
Molar Refractivity
56.2673
Polarizability
21.400454
Polar Surface Area
53.68
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
No Data Available
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Molecule Details
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References
Bioactivity
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