Molecule

ID:53445

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-14-10-4-2-9(3-5-10)11-8-12-6-7-13-11/h2-5,11-13H,6-8H2,1H3
InChIKey
INKLSJITWMAFRT-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C1NCCNC1
Isomeric Smiles
N1C(c2ccc(cc2)OC)CNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2116294
LogD (pH = 7.4)
-0.73184335
Log P
0.8977621
Molar Refractivity
56.1948
Polarizability
22.54244
Polar Surface Area
33.29
Rotatable Bonds
2
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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