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Chemical ID: 4231266
Chemical ID:
4231266
Name [?]:
1-(2,4-difluorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
SMILES [?]:
c1cc(c(cc1F)F)C(=O)Cn2cncn2
InChi [?]:
InChI=1/C10H7F2N3O/c11-7-1-2-8(9(12)3-7)10(16)4-15-6-13-5-14-15/h1-3,5-6H,4H2
InChi Info:
AuxInfo=1/0/N:1,2,5,11,15,13,6,3,4,9,7,8,14,16,12,10/rA:16nCCCCCCFFCOCNCNCN/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;d9;s9;s11;s12;d13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H7F2N3O |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.71638 |
Area: | 370.992 |
Solvation: | -6.55841 |
Coulombic: | -20.7317 |
Bond Count [?]
All: | 17 |
Single: | 11 |
Double: | 6 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 223.179 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 1.39 |
LogP (Chemaxon): | 0.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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