Molecule

ID:119922

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c15-12(16)7-1-2-10-8(5-7)9-6-13-4-3-11(9)14-10/h1-2,5,13-14H,3-4,6H2,(H,15,16)
InChIKey
UZNWFVREQIRICS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c1CNCCc1[nH]2
Isomeric Smiles
c12c([nH]c3c1cc(C(=O)O)cc3)CCNC2
Calculated Properties
JChem
Acid pKa
3.8453465
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.4598697
LogD (pH = 7.4)
-1.4555093
Log P
-1.4535767
Molar Refractivity
60.9462
Polarizability
24.09453
Polar Surface Area
65.12
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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