Molecule

ID:86763

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁Cl₂N₃O
Molecular Mass
390.30624
Exact Mass
389.10616767
Charge
0
InChI
InChI=1S/C20H21Cl2N3O/c1-2-3-4-5-6-7-14-8-10-15(11-9-14)19-24-20(26-25-19)17-12-16(21)13-23-18(17)22/h8-13H,2-7H2,1H3
InChIKey
APVVNWNPINAYMP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCc1ccc(cc1)c1noc(n1)c1cc(Cl)cnc1Cl
Isomeric Smiles
n1c(c2c(ncc(c2)Cl)Cl)onc1c1ccc(cc1)CCCCCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
7.4095697
LogD (pH = 7.4)
7.4095697
Log P
7.4095697
Molar Refractivity
128.348
Polarizability
41.742462
Polar Surface Area
51.81
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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