Molecule

ID:22835

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₈Cl₂N₂O₃
Molecular Mass
369.24242
Exact Mass
368.06944781
Charge
0
InChI
InChI=1S/C17H18Cl2N2O3/c1-23-16-7-5-12(20)10-14(16)21-17(22)3-2-8-24-15-6-4-11(18)9-13(15)19/h4-7,9-10H,2-3,8,20H2,1H3,(H,21,22)
InChIKey
WIJDXJNNJGSSES-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1NC(=O)CCCOc1ccc(cc1Cl)Cl)N
Isomeric Smiles
c1(NC(=O)CCCOc2c(cc(cc2)Cl)Cl)cc(N)ccc1OC
Calculated Properties
JChem
Acid pKa
12.414526
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
3.420421
LogD (pH = 7.4)
3.4742894
Log P
3.475026
Molar Refractivity
97.1107
Polarizability
36.62436
Polar Surface Area
73.58
Rotatable Bonds
7
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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