Molecule

ID:105297

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-9(15)13-7-6-10-8-14-12-5-3-2-4-11(10)12/h2-5,8,14H,6-7H2,1H3,(H,13,15)
InChIKey
NVUGEQAEQJTCIX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCCc1c[nH]c2c1cccc2
Isomeric Smiles
CC(=O)NCCc1c[nH]c2c1cccc2
Calculated Properties
JChem
LogD (pH = 7.4)
1.31
LogD (pH = 5.5)
1.31
Log P
1.31
Rotatable Bonds
3
H Donor
2
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
15.90
Polar Surface Area
44.89
Polarizability
22.60
Molar Refractivity
59.82
LOG S
-2.33
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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