Molecule

ID:14591

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-2-7-13-10-6-4-3-5-9(10)12-11(13)8-14/h3-6,8H,2,7H2,1H3
InChIKey
YQXBQNVSLZRMGK-UHFFFAOYSA-N
Canonic Smiles
CCCn1c(C=O)nc2c1cccc2
Isomeric Smiles
c12n(c(nc1cccc2)C=O)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7395377
LogD (pH = 7.4)
2.7412288
Log P
2.7412505
Molar Refractivity
55.1858
Polarizability
22.013353
Polar Surface Area
34.89
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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