Molecule

ID:20038

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀ClNO₂
Molecular Mass
223.6556
Exact Mass
223.04000625
Charge
0
InChI
InChI=1S/C11H10ClNO2/c12-10-6-8(13)3-4-11(10)15-7-9-2-1-5-14-9/h1-6H,7,13H2
InChIKey
WBKBBTZVVAZTOR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)Cl)OCc1ccco1
Isomeric Smiles
c1(cc(N)ccc1OCc1occc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.358079
LogD (pH = 7.4)
2.3751905
Log P
2.375413
Molar Refractivity
59.0299
Polarizability
22.3495
Polar Surface Area
48.39
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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