Molecule

ID:92528

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈ClNO
Molecular Mass
193.62962
Exact Mass
193.02944156
Charge
0
InChI
InChI=1S/C10H8ClNO/c11-7-9-6-10(13-12-9)8-4-2-1-3-5-8/h1-6H,7H2
InChIKey
MLJJRVMANUGETQ-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(c1)c1ccccc1
Isomeric Smiles
n1c(cc(c2ccccc2)o1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5737312
LogD (pH = 7.4)
2.5737317
Log P
2.5737317
Molar Refractivity
51.8584
Polarizability
20.917427
Polar Surface Area
26.03
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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