Molecule

ID:1833

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
InChIKey
YGPSJZOEDVAXAB-QMMMGPOBSA-N
Canonic Smiles
OC(=O)[C@H](CC(=O)c1ccccc1N)N
Isomeric Smiles
N[C@@H](CC(=O)c1ccccc1N)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-1.92
LogD (pH = 5.5)
-1.91
Log P
-1.91
Rotatable Bonds
4
H Donor
3
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
1.19
Polar Surface Area
106.41
Polarizability
20.73
Molar Refractivity
55.05
LOG S
-1.74
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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