Molecule

ID:23443

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-14-7-6-12-10(13)8-2-4-9(11)5-3-8/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKey
XWLTXNUHPJFIJM-UHFFFAOYSA-N
Canonic Smiles
COCCNC(=O)c1ccc(cc1)N
Isomeric Smiles
C(=O)(c1ccc(N)cc1)NCCOC
Calculated Properties
JChem
Acid pKa
15.737443
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.16887066
LogD (pH = 7.4)
0.17162548
Log P
0.1716607
Molar Refractivity
55.777
Polarizability
20.524889
Polar Surface Area
64.35
Rotatable Bonds
4
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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