Molecule

ID:22973

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClN₂O₂
Molecular Mass
304.77138
Exact Mass
304.09785547
Charge
0
InChI
InChI=1S/C16H17ClN2O2/c1-10-13(18)7-5-8-14(10)19-16(20)11(2)21-15-9-4-3-6-12(15)17/h3-9,11H,18H2,1-2H3,(H,19,20)
InChIKey
VCDAWJJTYYMRON-UHFFFAOYSA-N
Canonic Smiles
CC(C(=O)Nc1cccc(c1C)N)Oc1ccccc1Cl
Isomeric Smiles
C(=O)(Nc1c(c(N)ccc1)C)C(Oc1c(Cl)cccc1)C
Calculated Properties
JChem
Acid pKa
12.807334
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.5797544
LogD (pH = 7.4)
3.585094
Log P
3.585164
Molar Refractivity
85.9234
Polarizability
32.11367
Polar Surface Area
64.35
Rotatable Bonds
4
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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