Molecule

ID:66372

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c14-11-4-7-13(8-5-11)9-10-3-1-2-6-12-10/h1-3,6H,4-5,7-9H2
InChIKey
LQHWXULWFQQUDQ-UHFFFAOYSA-N
Canonic Smiles
O=C1CCN(CC1)Cc1ccccn1
Isomeric Smiles
N1(CCC(=O)CC1)Cc1ccccn1
Calculated Properties
JChem
Acid pKa
17.882196
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.52871746
LogD (pH = 7.4)
0.75754124
Log P
0.76140535
Molar Refractivity
54.397
Polarizability
21.344852
Polar Surface Area
33.2
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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