Molecule

ID:17429

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O₂
Molecular Mass
206.24106
Exact Mass
206.1055277
Charge
0
InChI
InChI=1S/C11H14N2O2/c1-15-10-5-3-2-4-9(10)13-7-6-12-8-11(13)14/h2-5,12H,6-8H2,1H3
InChIKey
XSEMUGGRCPEKRN-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1N1CCNCC1=O
Isomeric Smiles
c1(N2C(=O)CNCC2)c(cccc1)OC
Calculated Properties
JChem
Acid pKa
17.580269
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.9368465
LogD (pH = 7.4)
0.18077224
Log P
0.2542766
Molar Refractivity
56.6654
Polarizability
22.207462
Polar Surface Area
41.57
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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