Molecule

ID:77474

General Information
Structure
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c1-9-6-13-7-12(14-9)16-11-4-2-10(8-15)3-5-11/h2-8H,1H3
InChIKey
VUPYANPNFUPQQU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)Oc1cncc(n1)C
Isomeric Smiles
O=Cc1ccc(cc1)Oc1nc(cnc1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.4765162
LogD (pH = 7.4)
1.4765182
Log P
1.4765182
Molar Refractivity
59.474
Polarizability
22.527777
Polar Surface Area
52.08
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
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References
Bioactivity
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