Molecule

ID:13593

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClN₂O
Molecular Mass
222.67084
Exact Mass
222.05599066
Charge
0
InChI
InChI=1S/C11H11ClN2O/c12-8-5-14-10-4-2-1-3-9(10)13-11(14)7-15-6-8/h1-4,8H,5-7H2
InChIKey
HCOJFMIBZNCVOX-UHFFFAOYSA-N
Canonic Smiles
ClC1COCc2n(C1)c1ccccc1n2
Isomeric Smiles
c1ccc2c(c1)nc1n2CC(COC1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.93638
LogD (pH = 7.4)
1.9842072
Log P
1.9848552
Molar Refractivity
57.8038
Polarizability
23.704113
Polar Surface Area
27.05
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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