Molecule

ID:86293

General Information
Structure
Molecular Formula
C₂₀H₂₀Cl₂N₂O
Molecular Mass
375.2916
Exact Mass
374.09526863
Charge
0
InChI
InChI=1S/C20H20Cl2N2O/c1-12(2)10-14-4-6-15(7-5-14)13(3)19-23-24-20(25-19)17-9-8-16(21)11-18(17)22/h4-9,11-13H,10H2,1-3H3
InChIKey
SMPAHYZGHOIXHA-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1ccc(cc1)C(c1nnc(o1)c1ccc(cc1Cl)Cl)C)C
Isomeric Smiles
o1c(nnc1c1ccc(cc1Cl)Cl)C(c1ccc(cc1)CC(C)C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.377514
LogD (pH = 7.4)
6.377514
Log P
6.377514
Molar Refractivity
114.2237
Polarizability
39.95326
Polar Surface Area
38.92
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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