Molecule

ID:28752

General Information
Structure
Molecular Formula
C₁₉H₂₃Cl₂NO₃
Molecular Mass
384.29682
Exact Mass
383.10549896
Charge
0
InChI
InChI=1S/C19H23Cl2NO3/c1-23-11-12-24-17-6-4-5-16(14-17)22-9-2-3-10-25-19-8-7-15(20)13-18(19)21/h4-8,13-14,22H,2-3,9-12H2,1H3
InChIKey
KBPJJASRWDTFLN-UHFFFAOYSA-N
Canonic Smiles
COCCOc1cccc(c1)NCCCCOc1ccc(cc1Cl)Cl
Isomeric Smiles
c1(cc(ccc1OCCCCNc1cc(OCCOC)ccc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.615721
LogD (pH = 7.4)
4.6700993
Log P
4.6708384
Molar Refractivity
103.4303
Polarizability
39.765854
Polar Surface Area
39.72
Rotatable Bonds
11
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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