Molecule

ID:1242

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3
InChIKey
VEQOALNAAJBPNY-UHFFFAOYSA-N
Canonic Smiles
O=c1cc(n(n1c1ccccc1)C)C
Isomeric Smiles
O=c1n(n(c(c1)C)C)c1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.22
LogD (pH = 5.5)
1.22
Log P
1.22
Rotatable Bonds
1
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
0.49
Polar Surface Area
23.55
Polarizability
20.40
Molar Refractivity
56.42
LOG S
-1.58
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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