Molecule

ID:106110

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10?/m0/s1
InChIKey
ONOURAAVVKGJNM-PEHGTWAWSA-N
Canonic Smiles
C[C@@H](C(C(=O)O)N)OCc1ccccc1
Isomeric Smiles
C[C@H](OCc1ccccc1)C(N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.3359416
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.1024874
LogD (pH = 7.4)
-1.1150466
Log P
-1.102677
Molar Refractivity
55.8236
Polarizability
22.266666
Polar Surface Area
72.55
Rotatable Bonds
5
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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