Molecule

ID:63197

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-11(2)8-6-7(12)4-5-9(8)13(3)10(11)14/h4-6H,12H2,1-3H3
InChIKey
KJJOSNCOZFAVSP-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)C(C)(C)C(=O)N2C
Isomeric Smiles
C1(=O)C(C)(C)c2c(ccc(N)c2)N1C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1971018
LogD (pH = 7.4)
1.2060753
Log P
1.2061908
Molar Refractivity
56.4767
Polarizability
21.135452
Polar Surface Area
46.33
Rotatable Bonds
0
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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