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Chemical ID: 4120109
Chemical ID:
4120109
Name [?]:
amino-[4-(trifluoromethoxy)phenyl]-methanone oxime
SMILES [?]:
c1cc(ccc1C(=NO)N)OC(F)(F)F
InChi [?]:
InChI=1/C8H7F3N2O2/c9-8(10,11)15-6-3-1-5(2-4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,6,3,7,12,13,14,15,10,8,9,11/E:(1,2)(3,4)(9,10,11)/rA:15nCCCCCCCNONOCFFF/rB:s1;d2;s3;d4;d1s5;s6;w7;s8;s7;s3;s11;s12;s12;s12;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H7F3N2O2 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.66626 |
Area: | 346.08 |
Solvation: | -1.98574 |
Coulombic: | -62.9703 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 220.149 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 2.64 |
LogP (Chemaxon): | 1.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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