Molecule

ID:15599

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-12-7-9-5-8-6-10(14-2)3-4-11(8)13-9/h3-6,12-13H,7H2,1-2H3
InChIKey
ADUALTRHQFEHPX-UHFFFAOYSA-N
Canonic Smiles
CNCc1cc2c([nH]1)ccc(c2)OC
Isomeric Smiles
[nH]1c(cc2c1ccc(c2)OC)CNC
Calculated Properties
JChem
Acid pKa
15.995095
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.7550665
LogD (pH = 7.4)
-0.54725224
Log P
1.3926865
Molar Refractivity
56.7332
Polarizability
23.304707
Polar Surface Area
37.05
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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