Molecule

ID:133613

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O₃
Molecular Mass
236.26704
Exact Mass
236.11609238
Charge
0
InChI
InChI=1S/C12H16N2O3/c1-8(12(16)17)14-11(15)10(13)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)/t8-,10-/m0/s1
InChIKey
MIDZLCFIAINOQN-WPRPVWTQSA-N
Canonic Smiles
N[C@H](C(=O)N[C@H](C(=O)O)C)Cc1ccccc1
Isomeric Smiles
C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccccc1)N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.84
LogD (pH = 5.5)
-1.72
Log P
-1.72
Rotatable Bonds
5
H Donor
3
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
3.73
Polar Surface Area
92.42
Polarizability
24.60
Molar Refractivity
62.41
LOG S
-2.09
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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