Chemical ID: 4159435

CCOC(=O)c1cnc2c(c1Nc3ccc(cc3)C(=O)O)cccc2C(F)(F)F
Chemical ID:
4159435
Name [?]:
4-[[3-ethoxycarbonyl-8-(trifluoromethyl)-4-quinolyl]amino]benzoic acid
SMILES [?]:
CCOC(=O)c1cnc2c(c1Nc3ccc(cc3)C(=O)O)cccc2C(F)(F)F
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H15F3N2O4
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.4518
Area:576.804
Solvation:-3.96826
Coulombic:-82.1854
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:404.339
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:4.66
LogP (Chemaxon):3.73

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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