Molecule

ID:56528

General Information
Structure
Molecular Formula
C₂₀H₁₇Cl₂NO₂
Molecular Mass
374.26048
Exact Mass
373.06363415
Charge
0
InChI
InChI=1S/C20H17Cl2NO2/c1-2-3-9-25-15-6-4-5-13(10-15)19-12-17(20(22)24)16-11-14(21)7-8-18(16)23-19/h4-8,10-12H,2-3,9H2,1H3
InChIKey
QEYISGJRPHISOI-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1cccc(c1)c1nc2ccc(cc2c(c1)C(=O)Cl)Cl
Isomeric Smiles
c1(c2c(nc(c1)c1cc(OCCCC)ccc1)ccc(c2)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.1251583
LogD (pH = 7.4)
6.125161
Log P
6.125161
Molar Refractivity
100.9998
Polarizability
41.553898
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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