Molecule

ID:23200

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClN₂O₂
Molecular Mass
318.79796
Exact Mass
318.11350554
Charge
0
InChI
InChI=1S/C17H19ClN2O2/c1-2-3-9-22-14-6-4-5-12(10-14)17(21)20-13-7-8-15(18)16(19)11-13/h4-8,10-11H,2-3,9,19H2,1H3,(H,20,21)
InChIKey
CGPOZUIQMCXMFQ-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)C(=O)Nc1ccc(c(c1)N)Cl
Isomeric Smiles
C(=O)(Nc1cc(c(cc1)Cl)N)c1cc(OCCCC)ccc1
Calculated Properties
JChem
Acid pKa
12.385848
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
4.0062075
LogD (pH = 7.4)
4.0064692
Log P
4.006477
Molar Refractivity
91.4335
Polarizability
33.98353
Polar Surface Area
64.35
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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