Molecule

ID:61022

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈ClN₃O₃
Molecular Mass
323.77472
Exact Mass
323.10366913
Charge
0
InChI
InChI=1S/C15H18ClN3O3/c1-10-2-4-11(5-3-10)18-13(20)8-12-15(22)17-6-7-19(12)14(21)9-16/h2-5,12H,6-9H2,1H3,(H,17,22)(H,18,20)
InChIKey
QHLIIWUTUGEAKC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCNC(=O)C1CC(=O)Nc1ccc(cc1)C
Isomeric Smiles
N1(C(C(=O)NCC1)CC(=O)Nc1ccc(cc1)C)C(=O)CCl
Calculated Properties
JChem
Acid pKa
13.243886
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.55227506
LogD (pH = 7.4)
0.5522745
Log P
0.55227506
Molar Refractivity
83.6948
Polarizability
31.618795
Polar Surface Area
78.51
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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