Molecule

ID:56571

General Information
Structure
Molecular Formula
C₂₀H₁₇Cl₂NO₂
Molecular Mass
374.26048
Exact Mass
373.06363415
Charge
0
InChI
InChI=1S/C20H17Cl2NO2/c1-2-3-11-25-14-9-7-13(8-10-14)18-12-16(20(22)24)15-5-4-6-17(21)19(15)23-18/h4-10,12H,2-3,11H2,1H3
InChIKey
NJZHSHIIXWUNEI-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1)c1cc(C(=O)Cl)c2c(n1)c(Cl)ccc2
Isomeric Smiles
n1c2c(c(cc1c1ccc(cc1)OCCCC)C(=O)Cl)cccc2Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.12516
LogD (pH = 7.4)
6.125161
Log P
6.125161
Molar Refractivity
100.9998
Polarizability
41.577164
Polar Surface Area
39.19
Rotatable Bonds
6
Lipinski's Rule of Five
false
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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