Molecule

ID:66751

General Information
Structure
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c1-14-8-3-6-7(4-9(8)15-2)12-5-13-10(6)11/h3-5H,1-2H3
InChIKey
LLLHRNQLGUOJHP-UHFFFAOYSA-N
Canonic Smiles
COc1cc2c(Cl)ncnc2cc1OC
Isomeric Smiles
n1cnc(c2cc(c(cc12)OC)OC)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9338932
LogD (pH = 7.4)
1.9339412
Log P
1.9339418
Molar Refractivity
57.593
Polarizability
23.027414
Polar Surface Area
44.24
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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