Molecule

ID:24726

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₄N₂O
Molecular Mass
190.24166
Exact Mass
190.11061308
Charge
0
InChI
InChI=1S/C11H14N2O/c12-10-6-11(14)13(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2
InChIKey
ZBULGGJXBMLOKD-UHFFFAOYSA-N
Canonic Smiles
NC1CN(C(=O)C1)Cc1ccccc1
Isomeric Smiles
N1(C(=O)CC(C1)N)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.5429604
LogD (pH = 7.4)
-1.182523
Log P
0.34266195
Molar Refractivity
54.6322
Polarizability
21.539526
Polar Surface Area
46.33
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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