Molecule

ID:59375

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO
Molecular Mass
205.64032
Exact Mass
205.02944156
Charge
0
InChI
InChI=1S/C11H8ClNO/c1-7-2-3-10-8(4-7)5-9(6-14)11(12)13-10/h2-6H,1H3
InChIKey
FSLNYYZJXMGKHK-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2cc(C)ccc2nc1Cl
Isomeric Smiles
c1(ccc2c(c1)cc(c(n2)Cl)C=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1810453
LogD (pH = 7.4)
3.181046
Log P
3.181046
Molar Refractivity
57.4706
Polarizability
22.542137
Polar Surface Area
29.96
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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