Molecule

ID:35858

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)
InChIKey
QIVBCDIJIAJPQS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1c[nH]c2c1cccc2)N
Isomeric Smiles
c1(c[nH]c2c1cccc2)CC(C(=O)O)N
Calculated Properties
JChem
LogD (pH = 7.4)
-1.09
LogD (pH = 5.5)
-1.09
Log P
-1.09
Rotatable Bonds
3
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
2.54
Polar Surface Area
79.11
Polarizability
21.21
Molar Refractivity
56.20
LOG S
-2.22
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation