Molecule

ID:24289

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c1-14-10(13)4-6-12-8-9-3-2-5-11-7-9/h2-3,5,7,12H,4,6,8H2,1H3
InChIKey
VICHRUIARTZWPL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCNCc1cccnc1
Isomeric Smiles
C(=O)(CCNCc1cnccc1)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.705389
LogD (pH = 7.4)
-1.070749
Log P
0.17481232
Molar Refractivity
52.7022
Polarizability
20.926397
Polar Surface Area
51.22
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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