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Chemical ID: 7169843
Chemical ID:
7169843
Name [?]:
4-(2,6-difluorobenzoyl)amino-1-methyl-pyrazole-3-carboxamide
SMILES [?]:
Cn1cc(c(n1)C(=O)N)NC(=O)c2c(cccc2F)F
InChi [?]:
InChI=1/C12H10F2N4O2/c1-18-5-8(10(17-18)11(15)19)16-12(20)9-6(13)3-2-4-7(9)14/h2-5H,1H3,(H2,15,19)(H,16,20)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,14,18,4,13,5,7,11,20,19,9,10,6,2,8,12/E:(3,4)(6,7)(13,14)/rA:20nCNCCCNCONNCOCCCCCCFF/rB:s1;s2;d3;s4;s2d5;s5;d7;s7;s4;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s14;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10F2N4O2 |
All Atoms: | 30 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.96794 |
Area: | 443.586 |
Solvation: | -4.12171 |
Coulombic: | -58.7195 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 280.23 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.45 |
LogP (Chemaxon): | 1.36 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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