Molecule

ID:58598

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)11-6-10(7-12)13-14-11/h2-6H,7,12H2,1H3
InChIKey
XUZAZIRLRAUPST-UHFFFAOYSA-N
Canonic Smiles
NCc1noc(c1)c1ccc(cc1)C
Isomeric Smiles
c1(cc(no1)CN)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8393322
LogD (pH = 7.4)
0.8483551
Log P
1.6256794
Molar Refractivity
55.5061
Polarizability
22.425817
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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