Molecule

ID:81242

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-8-10(7-12-13-8)9-5-3-4-6-11(9)14-2/h3-7H,1-2H3,(H,12,13)
InChIKey
GZVVCGQIGNINSL-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1c1c[nH]nc1C
Isomeric Smiles
n1c(c(c[nH]1)c1c(cccc1)OC)C
Calculated Properties
JChem
Acid pKa
14.967305
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8976351
LogD (pH = 7.4)
1.898345
Log P
1.898354
Molar Refractivity
55.9363
Polarizability
22.398043
Polar Surface Area
37.91
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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