Molecule

ID:34339

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-8-5-6-11(14)13(8)10-4-2-3-9(12)7-10/h2-4,7-8H,5-6,12H2,1H3
InChIKey
HSOSVRQUSPTFGY-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)N1C(C)CCC1=O
Isomeric Smiles
C1CC(=O)N(C1C)c1cc(ccc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8774766
LogD (pH = 7.4)
0.88951856
Log P
0.8896743
Molar Refractivity
56.0514
Polarizability
21.140944
Polar Surface Area
46.33
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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