Molecule

ID:19601

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₂
Molecular Mass
276.71822
Exact Mass
276.06655535
Charge
0
InChI
InChI=1S/C14H13ClN2O2/c1-9(18)17-10-4-2-5-11(8-10)19-14-12(15)6-3-7-13(14)16/h2-8H,16H2,1H3,(H,17,18)
InChIKey
NFQOLFTYLIUVIF-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)Oc1c(N)cccc1Cl
Isomeric Smiles
c1(Oc2cc(NC(=O)C)ccc2)c(N)cccc1Cl
Calculated Properties
JChem
Acid pKa
13.913522
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.4860108
LogD (pH = 7.4)
2.4863575
Log P
2.486362
Molar Refractivity
76.667
Polarizability
28.571135
Polar Surface Area
64.35
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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