Molecule

ID:35506

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-8-3-5-9(6-4-8)12-10(13)7-11-2/h3-6,11H,7H2,1-2H3,(H,12,13)
InChIKey
ZBYCJXKBBVZZOF-UHFFFAOYSA-N
Canonic Smiles
CNCC(=O)Nc1ccc(cc1)C
Isomeric Smiles
C(=O)(Nc1ccc(cc1)C)CNC
Calculated Properties
JChem
Acid pKa
13.814968
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.5643797
LogD (pH = 7.4)
0.11219935
Log P
1.2328281
Molar Refractivity
54.0965
Polarizability
20.340582
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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