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Chemical ID: 6049374
Chemical ID:
6049374
Name [?]:
amino-(2,3,4,5-tetrafluorophenyl)-methanone oxime
SMILES [?]:
c1c(c(c(c(c1F)F)F)F)C(=NO)N
InChi [?]:
InChI=1/C7H4F4N2O/c8-3-1-2(7(12)13-14)4(9)6(11)5(3)10/h1,14H,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,4,11,7,10,8,9,14,12,13/rA:14nCCCCCCFFFFCNON/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s3;s2;w11;s12;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H4F4N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.00224 |
Area: | 318.583 |
Solvation: | -4.96233 |
Coulombic: | -41.6915 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 1 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 208.113 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.11 |
LogP (Chemaxon): | 1.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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