Molecule

ID:80464

General Information
Structure
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c1-7-9(11(12)14)10(13-15-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
HXEVQMXCHCDPSO-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1c(C)onc1c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)c(c(o1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.76134
LogD (pH = 7.4)
2.7613409
Log P
2.7613409
Molar Refractivity
58.5286
Polarizability
22.783094
Polar Surface Area
43.1
Rotatable Bonds
2
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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