Molecule

ID:115255

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c1-14-10-4-2-3-8(5-10)11-6-9(7-12)13-15-11/h2-6H,7H2,1H3
InChIKey
IVUMVFLYCYHAFY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1onc(c1)CCl
Isomeric Smiles
c1(cc(no1)CCl)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.41606
LogD (pH = 7.4)
2.4160604
Log P
2.4160604
Molar Refractivity
58.3216
Polarizability
23.438362
Polar Surface Area
35.26
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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