Chemical ID: 7666830

Cc1c(c(nn1CCC(=O)O)C(F)(F)F)Cl
Chemical ID:
7666830
Name [?]:
None
SMILES [?]:
Cc1c(c(nn1CCC(=O)O)C(F)(F)F)Cl
InChi [?]:
InChI=1/C8H8ClF3N2O2/c1-4-6(9)7(8(10,11)12)13-14(4)3-2-5(15)16/h2-3H2,1H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,8,7,2,9,3,4,12,16,13,14,15,5,6,10,11/E:(10,11,12)(15,16)/rA:16nCCCCNNCCCOOCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s4;s12;s12;s12;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H8ClF3N2O2
All Atoms:24
Heavy Atoms:16
Chiral Atoms:None
ZAP Information [?]
Total:7.08923
Area:396.023
Solvation:-2.81133
Coulombic:-49.0501
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.76
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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