Molecule

ID:23206

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₇ClN₂O₃
Molecular Mass
320.77078
Exact Mass
320.09277009
Charge
0
InChI
InChI=1S/C16H17ClN2O3/c1-21-8-9-22-13-5-2-11(3-6-13)16(20)19-12-4-7-14(17)15(18)10-12/h2-7,10H,8-9,18H2,1H3,(H,19,20)
InChIKey
TXPIEYAZQGOHBA-UHFFFAOYSA-N
Canonic Smiles
COCCOc1ccc(cc1)C(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)c1ccc(cc1)OCCOC
Calculated Properties
JChem
Acid pKa
12.700057
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.635334
LogD (pH = 7.4)
2.6355972
Log P
2.6356025
Molar Refractivity
88.6034
Polarizability
32.85539
Polar Surface Area
73.58
Rotatable Bonds
6
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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