Molecule

ID:59967

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-14-10-4-3-8(7-11(10)15-2)9-5-6-12-13-9/h3-7H,1-2H3,(H,12,13)
InChIKey
SKDIDNLXZGTGPW-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)c1n[nH]cc1
Isomeric Smiles
n1c(c2cc(c(cc2)OC)OC)cc[nH]1
Calculated Properties
JChem
Acid pKa
14.836171
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.994983
LogD (pH = 7.4)
1.9951607
Log P
1.995163
Molar Refractivity
57.436
Polarizability
23.121655
Polar Surface Area
47.14
Rotatable Bonds
3
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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