Molecule

ID:13169

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-3-10(7-12-5-1)8-13-9-11-4-2-6-14-11/h1-7,13H,8-9H2
InChIKey
MZMZQNAMCDNTOE-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)CNCc1ccco1
Isomeric Smiles
c1cc(oc1)CNCc1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.8562827
LogD (pH = 7.4)
0.76062804
Log P
1.098642
Molar Refractivity
54.1526
Polarizability
21.090649
Polar Surface Area
38.06
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
Molecule Details
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References
Bioactivity
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