Molecule

ID:15858

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-14-8-4-2-3-7(5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChIKey
FGMPGCPZEOXEES-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)C(CC(=O)O)N
Isomeric Smiles
C(C(=O)O)C(c1cc(OC)ccc1)N
Calculated Properties
JChem
Acid pKa
3.657527
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5515168
LogD (pH = 7.4)
-1.5481262
Log P
-1.5471989
Molar Refractivity
51.4488
Polarizability
20.414623
Polar Surface Area
72.55
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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