Molecule

ID:11715

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c11-10(15)12(7-6-9(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,15)(H,13,14)
InChIKey
FFQLMOLDTSZBCK-UHFFFAOYSA-N
Canonic Smiles
NC(=O)N(c1ccccc1)CCC(=O)O
Isomeric Smiles
C(=O)(N(CCC(=O)O)c1ccccc1)N
Calculated Properties
JChem
Acid pKa
4.255792
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.8095598
LogD (pH = 7.4)
-2.5382578
Log P
0.45647275
Molar Refractivity
53.4976
Polarizability
20.586437
Polar Surface Area
83.63
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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