Molecule

ID:53654

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-13-7-8(6-11(12)14)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H2,12,14)
InChIKey
CIUCCWRSRUINHE-UHFFFAOYSA-N
Canonic Smiles
NC(=O)Cc1cn(c2c1cccc2)C
Isomeric Smiles
c1(cn(c2c1cccc2)C)CC(=O)N
Calculated Properties
JChem
Acid pKa
16.622328
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.1264895
LogD (pH = 7.4)
1.1264895
Log P
1.1264895
Molar Refractivity
55.171
Polarizability
22.20261
Polar Surface Area
48.02
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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