Molecule

ID:11220

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2
InChIKey
QKWLVAYDAHQMLG-UHFFFAOYSA-N
Canonic Smiles
Nc1ccccc1N1CCOCC1
Isomeric Smiles
N1(c2c(N)cccc2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0173228
LogD (pH = 7.4)
1.033651
Log P
1.0338633
Molar Refractivity
54.2615
Polarizability
19.93616
Polar Surface Area
38.49
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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