Molecule

ID:21478

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8,12H2
InChIKey
WDNQOCWBZBGFHU-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)N)N1CCCC1
Isomeric Smiles
C(=O)(N1CCCC1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8447336
LogD (pH = 7.4)
0.8480671
Log P
0.8481098
Molar Refractivity
57.1712
Polarizability
20.934376
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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