Molecule

ID:70813

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₃NO₃
Molecular Mass
207.22582
Exact Mass
207.08954328
Charge
0
InChI
InChI=1S/C11H13NO3/c1-8(13)12-10(11(14)15)7-9-5-3-2-4-6-9/h2-6,10H,7H2,1H3,(H,12,13)(H,14,15)/t10-/m0/s1
InChIKey
CBQJSKKFNMDLON-JTQLQIEISA-N
Canonic Smiles
OC(=O)[C@H](Cc1ccccc1)NC(=O)C
Isomeric Smiles
C(=O)([C@H](Cc1ccccc1)NC(=O)C)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.25
LogD (pH = 5.5)
-0.59
Log P
0.90
Rotatable Bonds
4
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
4.02
Polar Surface Area
66.40
Polarizability
21.23
Molar Refractivity
54.56
LOG S
-1.80
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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