Molecule

ID:65569

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O₂
Molecular Mass
204.22518
Exact Mass
204.08987763
Charge
0
InChI
InChI=1S/C11H12N2O2/c1-11(2,3)10-13-8-5-12-4-7(6-14)9(8)15-10/h4-6H,1-3H3
InChIKey
KQVUYPFXMFZVRM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cncc2c1oc(n2)C(C)(C)C
Isomeric Smiles
c1(cncc2c1oc(n2)C(C)(C)C)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7372934
LogD (pH = 7.4)
1.7372965
Log P
1.7372965
Molar Refractivity
55.2933
Polarizability
22.12364
Polar Surface Area
55.99
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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