Molecule

ID:115649

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClNO₂
Molecular Mass
195.60244
Exact Mass
195.00870612
Charge
0
InChI
InChI=1S/C9H6ClNO2/c1-11-7-5(8(12)9(11)13)3-2-4-6(7)10/h2-4H,1H3
InChIKey
JRICJMZRQHSQKB-UHFFFAOYSA-N
Canonic Smiles
O=C1N(C)c2c(C1=O)cccc2Cl
Isomeric Smiles
N1(C(=O)C(=O)c2c1c(Cl)ccc2)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4196543
LogD (pH = 7.4)
1.4196543
Log P
1.4196543
Molar Refractivity
48.3957
Polarizability
18.313604
Polar Surface Area
37.38
Rotatable Bonds
0
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
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References
Bioactivity
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