Molecule

ID:23432

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O
Molecular Mass
178.23096
Exact Mass
178.11061308
Charge
0
InChI
InChI=1S/C10H14N2O/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-7H,11H2,1-2H3,(H,12,13)
InChIKey
MTCRMEXPYUBMTJ-UHFFFAOYSA-N
Canonic Smiles
CC(NC(=O)c1ccc(cc1)N)C
Isomeric Smiles
C(=O)(NC(C)C)c1ccc(N)cc1
Calculated Properties
JChem
Acid pKa
15.862009
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.98823094
LogD (pH = 7.4)
0.9919713
Log P
0.9920192
Molar Refractivity
53.9009
Polarizability
19.82129
Polar Surface Area
55.12
Rotatable Bonds
2
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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