Molecule

ID:92584

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₂N₂O₂
Molecular Mass
216.23588
Exact Mass
216.08987763
Charge
0
InChI
InChI=1S/C12H12N2O2/c1-16-12(15)11-4-2-10(3-5-11)8-14-7-6-13-9-14/h2-7,9H,8H2,1H3
InChIKey
HMWIIHIOSBESMH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1ccc(cc1)Cn1cncc1
Isomeric Smiles
n1cn(cc1)Cc1ccc(cc1)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2782385
LogD (pH = 7.4)
1.7428375
Log P
1.806402
Molar Refractivity
60.5474
Polarizability
22.917309
Polar Surface Area
44.12
Rotatable Bonds
4
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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