Molecule

ID:116830

General Information
Structure
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-13-8-6-4-3-5-7(8)9(11)10(12)14-2/h3-6,9H,11H2,1-2H3
InChIKey
FXXDFLDNKVTKOK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccccc1OC)N
Isomeric Smiles
c1(C(C(=O)OC)N)c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.7131496E-4
LogD (pH = 7.4)
0.75059026
Log P
0.7771766
Molar Refractivity
51.5936
Polarizability
20.662416
Polar Surface Area
61.55
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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