Molecule

ID:22944

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-7-9(12)3-2-4-10(7)13-11(14)8-5-6-8/h2-4,8H,5-6,12H2,1H3,(H,13,14)
InChIKey
DFYPUDDZFHBSLG-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CC1)Nc1cccc(c1C)N
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)C1CC1
Calculated Properties
JChem
Acid pKa
14.127478
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.6644093
LogD (pH = 7.4)
1.6751096
Log P
1.6752478
Molar Refractivity
58.0618
Polarizability
21.065231
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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