Molecule

ID:56570

General Information
Structure
Molecular Formula
C₂₀H₁₇Cl₂NO₂
Molecular Mass
374.26048
Exact Mass
373.06363415
Charge
0
InChI
InChI=1S/C20H17Cl2NO2/c1-11(2)25-14-6-4-5-13(9-14)18-10-16(20(22)24)15-7-8-17(21)12(3)19(15)23-18/h4-11H,1-3H3
InChIKey
IRCRGROLOGYWHJ-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1cccc(c1)c1cc(C(=O)Cl)c2c(n1)c(C)c(cc2)Cl)C
Isomeric Smiles
c12nc(cc(c1ccc(c2C)Cl)C(=O)Cl)c1cc(OC(C)C)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.0880632
LogD (pH = 7.4)
6.0880666
Log P
6.0880666
Molar Refractivity
101.3348
Polarizability
41.47918
Polar Surface Area
39.19
Rotatable Bonds
4
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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