Molecule

ID:22858

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O₂
Molecular Mass
276.71822
Exact Mass
276.06655535
Charge
0
InChI
InChI=1S/C14H13ClN2O2/c1-19-13-6-5-11(16)8-12(13)17-14(18)9-3-2-4-10(15)7-9/h2-8H,16H2,1H3,(H,17,18)
InChIKey
VORXGWQRPHYJGP-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)c1cccc(c1)Cl)N
Isomeric Smiles
C(=O)(Nc1cc(N)ccc1OC)c1cc(Cl)ccc1
Calculated Properties
JChem
Acid pKa
11.907542
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
2.6462574
LogD (pH = 7.4)
2.682087
Log P
2.682578
Molar Refractivity
77.5599
Polarizability
28.470243
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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