Chemical ID: 6754572

Cc1c(c2c(n1CCC(=O)[O-])CC(CC2=O)(C)C)CC(Cl)(Cl)Cl
Chemical ID:
6754572
Name [?]:
3-[2,6,6-trimethyl-4-oxo-3-(2,2,2-trichloroethyl)-5,7-dihydroindol-1-yl]propanoate
SMILES [?]:
Cc1c(c2c(n1CCC(=O)[O-])CC(CC2=O)(C)C)CC(Cl)(Cl)Cl
InChi [?]:
InChI=1/C16H20Cl3NO3/c1-9-10(6-16(17,18)19)14-11(20(9)5-4-13(22)23)7-15(2,3)8-12(14)21/h4-8H2,1-3H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,17,18,8,7,19,12,14,2,3,5,15,9,4,13,20,21,22,23,6,16,10,11/E:(2,3)(17,18,19)(22,23)/rA:23nCCCCCNCCCOO-CCCCOCCCCClClCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s5;s12;s13;s4s14;d15;s13;s13;s3;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19Cl3NO3-
All Atoms:42
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-30.3851
Area:534.222
Solvation:-43.7406
Coulombic:-14.8185
Bond Count [?]
All:24
Single:20
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.685
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.14
LogP (Chemaxon):3.0

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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