Molecule

ID:41368

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-14(2)8-10-12(15)16-11(13-10)9-6-4-3-5-7-9/h3-8H,1-2H3/b10-8+
InChIKey
GZJKBFRZBMYLAV-CSKARUKUSA-N
Canonic Smiles
CN(/C=C\1/N=C(OC1=O)c1ccccc1)C
Isomeric Smiles
C\1(=C\N(C)C)/N=C(OC1=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.8079604
LogD (pH = 7.4)
1.8250519
Log P
1.8252741
Molar Refractivity
61.7646
Polarizability
23.015966
Polar Surface Area
41.9
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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