Molecule

ID:28583

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c12-9-10-1-3-11(4-2-10)13-5-7-14-8-6-13/h1-4H,5-9,12H2
InChIKey
LTILPSKZXNIITC-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)N1CCOCC1
Isomeric Smiles
N1(c2ccc(cc2)CN)CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.010609
LogD (pH = 7.4)
-1.1739521
Log P
0.98855764
Molar Refractivity
58.0345
Polarizability
22.164276
Polar Surface Area
38.49
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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