Molecule

ID:44732

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-2-8-3-5-9(6-4-8)10-7-11(12)14-13-10/h3-7H,2,12H2,1H3
InChIKey
WZBGIZPUUZIMTP-UHFFFAOYSA-N
Canonic Smiles
CCc1ccc(cc1)c1noc(c1)N
Isomeric Smiles
c1c(noc1N)c1ccc(cc1)CC
Calculated Properties
JChem
Acid pKa
15.775546
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.5891106
LogD (pH = 7.4)
2.5892205
Log P
2.589222
Molar Refractivity
55.8601
Polarizability
22.01791
Polar Surface Area
52.05
Rotatable Bonds
2
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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