Molecule

ID:28447

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₂
Molecular Mass
194.23036
Exact Mass
194.1055277
Charge
0
InChI
InChI=1S/C10H14N2O2/c11-8-3-5-12(6-4-8)10(13)9-2-1-7-14-9/h1-2,7-8H,3-6,11H2
InChIKey
YEHVHAZOHWSZJH-UHFFFAOYSA-N
Canonic Smiles
NC1CCN(CC1)C(=O)c1ccco1
Isomeric Smiles
C(=O)(N1CCC(CC1)N)c1occc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.4751637
LogD (pH = 7.4)
-2.9062216
Log P
-0.45733732
Molar Refractivity
52.7025
Polarizability
20.059414
Polar Surface Area
59.47
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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