Molecule

ID:50608

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁IN₂O₂
Molecular Mass
366.15381
Exact Mass
365.9865256
Charge
0
InChI
InChI=1S/C14H11IN2O2/c15-11-6-12-14(16-7-11)19-9-13(18)17(12)8-10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKey
BKGCQXKQWKTXCS-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc2c(c1)N(Cc1ccccc1)C(=O)CO2
Isomeric Smiles
c1c(cc2c(n1)OCC(=O)N2Cc1ccccc1)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.648879
LogD (pH = 7.4)
2.6488826
Log P
2.6488826
Molar Refractivity
80.0727
Polarizability
30.8522
Polar Surface Area
42.43
Rotatable Bonds
2
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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