Molecule

ID:130302

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey
JJSHYECKYLDYAR-UHFFFAOYSA-N
Canonic Smiles
CN(C1=NC(=O)C(O1)c1ccccc1)C
Isomeric Smiles
O=C1N=C(OC1c1ccccc1)N(C)C
Calculated Properties
JChem
Acid pKa
14.937725
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3396132
LogD (pH = 7.4)
1.3396132
Log P
1.3396132
Molar Refractivity
55.7716
Polarizability
21.435232
Polar Surface Area
41.9
Rotatable Bonds
1
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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