Molecule

ID:117191

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c1-9-5-6-10(13)8-11(9)14-7-3-2-4-12(14)15/h5-6,8H,2-4,7,13H2,1H3
InChIKey
ROFVFYUZNNIHNE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)N1CCCCC1=O)C
Isomeric Smiles
N1(c2cc(N)ccc2C)C(=O)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3982525
LogD (pH = 7.4)
1.4306599
Log P
1.4310893
Molar Refractivity
61.2748
Polarizability
22.905523
Polar Surface Area
46.33
Rotatable Bonds
1
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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