Molecule

ID:80088

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-4-12-11-7-10(13-9(3)14)6-5-8(11)2/h5-7,12H,4H2,1-3H3,(H,13,14)
InChIKey
MRNDZGBBVKUGJY-UHFFFAOYSA-N
Canonic Smiles
CCNc1cc(ccc1C)NC(=O)C
Isomeric Smiles
N(c1ccc(c(c1)NCC)C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.671166
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.515372
LogD (pH = 7.4)
1.5534557
Log P
1.5539637
Molar Refractivity
60.9046
Polarizability
21.79322
Polar Surface Area
41.13
Rotatable Bonds
3
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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