Molecule

ID:108757

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₂MgN₂O₂
Molecular Mass
312.60508
Exact Mass
312.07491933
Charge
0
InChI
InChI=1S/2C9H7NO.Mg/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;/h2*1-6,11H;/q;;+2/p-2
InChIKey
PRGAWFXXABCMIW-UHFFFAOYSA-L
Canonic Smiles
[Mg](Oc1cccc2c1nccc2)Oc1cccc2c1nccc2
Isomeric Smiles
O([Mg]Oc1cccc2cccnc12)c1cccc2cccnc12
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.1062722
LogD (pH = 7.4)
3.1253538
Log P
3.1256
Molar Refractivity
81.4916
Polarizability
36.67755
Polar Surface Area
44.24
Rotatable Bonds
4
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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