Molecule

ID:86379

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O
Molecular Mass
214.26306
Exact Mass
214.11061308
Charge
0
InChI
InChI=1S/C13H14N2O/c1-9-4-2-7-11(8-9)12-14-13(16-15-12)10-5-3-6-10/h2,4,7-8,10H,3,5-6H2,1H3
InChIKey
GHYXWRQSVWUJRA-UHFFFAOYSA-N
Canonic Smiles
Cc1cccc(c1)c1noc(n1)C1CCC1
Isomeric Smiles
n1c(C2CCC2)onc1c1cc(ccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9922223
LogD (pH = 7.4)
3.9922225
Log P
3.9922225
Molar Refractivity
73.5673
Polarizability
24.035341
Polar Surface Area
38.92
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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