Molecule

ID:30308

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀ClNO₂
Molecular Mass
235.6663
Exact Mass
235.04000625
Charge
0
InChI
InChI=1S/C12H10ClNO2/c13-9-12(15)16-11-5-3-10(4-6-11)14-7-1-2-8-14/h1-8H,9H2
InChIKey
BAOZKUQEQGGLIZ-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Oc1ccc(cc1)n1cccc1
Isomeric Smiles
n1(c2ccc(OC(=O)CCl)cc2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6518
LogD (pH = 7.4)
2.6518
Log P
2.6518
Molar Refractivity
71.696
Polarizability
24.55207
Polar Surface Area
31.23
Rotatable Bonds
4
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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