Chemical ID: 7655094

CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)C(F)(F)F
Chemical ID:
7655094
Name [?]:
None
SMILES [?]:
CC(CC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3)C(F)(F)F
InChi [?]:
InChI=1/C21H20F3NO4/c1-12(21(22,23)24)10-18(19(26)27)25-20(28)29-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17-18H,10-11H2,1H3,(H,25,28)(H,26,27)
InChi Info:
AuxInfo=1/1/N:1,17,24,16,23,18,25,15,22,3,12,2,19,20,14,21,13,4,5,9,26,27,28,29,8,6,7,10,11/E:(2,3)(4,5)(6,7)(8,9)(13,14)(15,16)(22,23,24)(26,27)/rA:29cCCCCCOONCOOCCCCCCCCCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s22;d23;d20s24;s2;s26;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20F3NO4
All Atoms:49
Heavy Atoms:29
Chiral Atoms:None
ZAP Information [?]
Total:10.7513
Area:602.413
Solvation:-4.30899
Coulombic:-79.3784
Bond Count [?]
All:31
Single:23
Double:8
Rotors:9
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.08
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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