Molecule

ID:39947

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-15-11(14)9-2-4-10(5-3-9)13-7-6-12-8-13/h2-8H,1H3
InChIKey
KUBBZTZQWIGHFH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)n1ccnc1
Isomeric Smiles
n1(cncc1)c1ccc(C(=O)OC)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.76746446
LogD (pH = 7.4)
1.3705239
Log P
1.4085
Molar Refractivity
66.0317
Polarizability
21.831636
Polar Surface Area
44.12
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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