Molecule

ID:78746

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-2-5-12-11(3-1)4-6-13-7-9-14-10-8-13/h1-3,5H,4,6-10H2
InChIKey
GRKACIXCRNRVBC-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)CCc1ccccn1
Isomeric Smiles
N1(CCc2ncccc2)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.5227409
LogD (pH = 7.4)
0.7001466
Log P
0.79695433
Molar Refractivity
55.6955
Polarizability
21.891148
Polar Surface Area
25.36
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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