Molecule

ID:89083

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c14-11-9-13(7-6-12-11)8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,12,14)
InChIKey
SBWVHKNCFZRBRJ-UHFFFAOYSA-N
Canonic Smiles
O=C1NCCN(C1)Cc1ccccc1
Isomeric Smiles
N1CCN(Cc2ccccc2)CC1=O
Calculated Properties
JChem
Acid pKa
14.48886
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.41097355
LogD (pH = 7.4)
0.58525413
Log P
0.6378344
Molar Refractivity
55.4352
Polarizability
21.539593
Polar Surface Area
32.34
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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