Molecule

ID:34682

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-14-11-4-2-3-10(9-11)13-7-5-12-6-8-13/h2-4,9,12H,5-8H2,1H3
InChIKey
PZIBVWUXWNYTNL-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)N1CCNCC1
Isomeric Smiles
N1(c2cc(OC)ccc2)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.6134189
LogD (pH = 7.4)
-0.09093052
Log P
1.3876901
Molar Refractivity
57.7052
Polarizability
22.15233
Polar Surface Area
24.5
Rotatable Bonds
2
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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