Molecule

ID:78758

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO₂
Molecular Mass
259.6877
Exact Mass
259.04000625
Charge
0
InChI
InChI=1S/C14H10ClNO2/c15-11-6-7-13(16-9-17)12(8-11)14(18)10-4-2-1-3-5-10/h1-9H,(H,16,17)
InChIKey
DSPFYCLSZSPMTO-UHFFFAOYSA-N
Canonic Smiles
O=CNc1ccc(cc1C(=O)c1ccccc1)Cl
Isomeric Smiles
O=C(c1c(ccc(c1)Cl)NC=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
13.484529
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.8756552
LogD (pH = 7.4)
3.875655
Log P
3.8756552
Molar Refractivity
71.8108
Polarizability
26.880169
Polar Surface Area
46.17
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
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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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