Molecule

ID:114095

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-14-9-4-2-8(3-5-9)10(13)12-7-6-11/h2-5H,6-7,11H2,1H3,(H,12,13)
InChIKey
MVDTXHHGMXWCRJ-UHFFFAOYSA-N
Canonic Smiles
NCCNC(=O)c1ccc(cc1)OC
Isomeric Smiles
C(=O)(c1ccc(cc1)OC)NCCN
Calculated Properties
JChem
Acid pKa
15.060667
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.848832
LogD (pH = 7.4)
-1.6548784
Log P
0.0929071
Molar Refractivity
54.4461
Polarizability
20.888033
Polar Surface Area
64.35
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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