Chemical ID: 5806884

Cc1c(c2c(n1c3ccc(c(c3)[N+](=O)[O-])F)CC(CC2=O)(C)C)CC(Cl)(Cl)Cl
Chemical ID:
5806884
Name [?]:
1-(4-fluoro-3-nitro-phenyl)-2,6,6-trimethyl-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-4-one
SMILES [?]:
Cc1c(c2c(n1c3ccc(c(c3)[N+](=O)[O-])F)CC(CC2=O)(C)C)CC(Cl)(Cl)Cl
InChi [?]:
InChI=1/C19H18Cl3FN2O3/c1-10-12(7-19(20,21)22)17-15(8-18(2,3)9-16(17)26)24(10)11-4-5-13(23)14(6-11)25(27)28/h4-6H,7-9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,23,8,9,12,24,17,19,2,7,3,10,11,5,20,4,18,25,26,27,28,16,6,13,21,14,15/E:(2,3)(20,21,22)(27,28)/CRV:25.5/rA:28nCCCCCNCCCCCCN+OO-FCCCCOCCCCClClCl/rB:s1;d2;s3;d4;s2s5;s6;s7;d8;s9;d10;d7s11;s11;d13;s13;s10;s5;s17;s18;s4s19;d20;s18;s18;s3;s24;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18Cl3FN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:4.87169
Area:585.28
Solvation:-9.76032
Coulombic:-28.5158
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:447.714
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.58
LogP (Chemaxon):4.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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