Chemical ID: 7667621

CCn1c(cc(n1)C(=O)O)C(F)(F)F
Chemical ID:
7667621
Name [?]:
None
SMILES [?]:
CCn1c(cc(n1)C(=O)O)C(F)(F)F
InChi [?]:
InChI=1/C7H7F3N2O2/c1-2-12-5(7(8,9)10)3-4(11-12)6(13)14/h3H,2H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,4,8,11,12,13,14,7,3,9,10/E:(8,9,10)(13,14)/rA:14nCCNCCCNCOOCFFF/rB:s1;s2;s3;d4;s5;s3d6;s6;d8;s8;s4;s11;s11;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H7F3N2O2
All Atoms:21
Heavy Atoms:14
Chiral Atoms:None
ZAP Information [?]
Total:5.81173
Area:337.965
Solvation:-2.6374
Coulombic:-51.5195
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.49
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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