Molecule

ID:42722

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c1-9(13(2)3)8-11(14)10-6-4-5-7-12-10/h4-8H,1-3H3/b9-8+
InChIKey
GOTBUKNFUAHDLE-CMDGGOBGSA-N
Canonic Smiles
C/C(=C\C(=O)c1ccccn1)/N(C)C
Isomeric Smiles
C(=C(\N(C)C)/C)/C(=O)c1ncccc1
Calculated Properties
JChem
Acid pKa
16.473742
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.35130322
LogD (pH = 7.4)
1.090153
Log P
1.1157385
Molar Refractivity
58.1032
Polarizability
21.430624
Polar Surface Area
33.2
Rotatable Bonds
3
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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