Molecule

ID:34332

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-8-2-7-11(14)13(8)10-5-3-9(12)4-6-10/h3-6,8H,2,7,12H2,1H3
InChIKey
WVPDRVCSLZCQAW-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)N1C(C)CCC1=O
Isomeric Smiles
C1CC(=O)N(C1C)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8774628
LogD (pH = 7.4)
0.8895184
Log P
0.8896743
Molar Refractivity
56.0514
Polarizability
21.1398
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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