Molecule

ID:45270

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-13(2)11(14)8-7-9-5-3-4-6-10(9)12/h3-6H,7-8,12H2,1-2H3
InChIKey
HBZJIUIHRQJUBS-UHFFFAOYSA-N
Canonic Smiles
O=C(N(C)C)CCc1ccccc1N
Isomeric Smiles
C(=O)(N(C)C)CCc1c(N)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8585267
LogD (pH = 7.4)
0.866938
Log P
0.86704636
Molar Refractivity
58.2826
Polarizability
21.88321
Polar Surface Area
46.33
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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