Molecule

ID:41516

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O
Molecular Mass
200.23648
Exact Mass
200.09496301
Charge
0
InChI
InChI=1S/C12H12N2O/c1-15-11-5-2-9(3-6-11)12-7-4-10(13)8-14-12/h2-8H,13H2,1H3
InChIKey
DUYYTOFLIZLBKH-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1ccc(cn1)N
Isomeric Smiles
n1c(c2ccc(cc2)OC)ccc(c1)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.7090693
LogD (pH = 7.4)
1.8007371
Log P
1.8020519
Molar Refractivity
59.8289
Polarizability
24.076342
Polar Surface Area
48.14
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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