Molecule

ID:60215

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-11-7-8-3-5-9(6-4-8)10(13)12-2/h3-6,11H,7H2,1-2H3,(H,12,13)
InChIKey
HTIKDJFBVIISPT-UHFFFAOYSA-N
Canonic Smiles
CNCc1ccc(cc1)C(=O)NC
Isomeric Smiles
C(=O)(c1ccc(cc1)CNC)NC
Calculated Properties
JChem
Acid pKa
14.85169
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.5604923
LogD (pH = 7.4)
-1.4325421
Log P
0.605911
Molar Refractivity
53.2811
Polarizability
20.205256
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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