Molecule

ID:86852

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀ClNO₂
Molecular Mass
247.677
Exact Mass
247.04000625
Charge
0
InChI
InChI=1S/C13H10ClNO2/c1-9-2-4-11(5-3-9)17-13(16)10-6-7-15-12(14)8-10/h2-8H,1H3
InChIKey
KTYMUWAYXNZRGV-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)OC(=O)c1ccnc(c1)Cl
Isomeric Smiles
O(c1ccc(cc1)C)C(=O)c1cc(ncc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.7546518
LogD (pH = 7.4)
3.754652
Log P
3.754652
Molar Refractivity
66.6113
Polarizability
25.287565
Polar Surface Area
39.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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