Molecule

ID:47812

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKey
KNOTXXUXSBIPQW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C)N1CCOCC1
Isomeric Smiles
c1(N2CCOCC2)c(cc(cc1)N)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8838905
LogD (pH = 7.4)
1.5276085
Log P
1.5472846
Molar Refractivity
59.3027
Polarizability
21.699408
Polar Surface Area
38.49
Rotatable Bonds
1
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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