Molecule

ID:79254

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₂
Molecular Mass
247.677
Exact Mass
247.04000625
Charge
0
InChI
InChI=1S/C13H10ClNO2/c1-9-4-6-10(7-5-9)17-13-11(12(14)16)3-2-8-15-13/h2-8H,1H3
InChIKey
CGQBNLMZQVRGLL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)Oc1ncccc1C(=O)Cl
Isomeric Smiles
O(c1c(cccn1)C(=O)Cl)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5546474
LogD (pH = 7.4)
3.554652
Log P
3.554652
Molar Refractivity
66.6113
Polarizability
25.282206
Polar Surface Area
39.19
Rotatable Bonds
3
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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