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Chemical ID: 7160759
Chemical ID:
7160759
Name [?]:
1-[(4-bromopyrazol-1-yl)methyl]pyrazole-3-carbohydrazide
SMILES [?]:
c1cn(nc1C(=O)NN)Cn2cc(cn2)Br
InChi [?]:
InChI=1/C8H9BrN6O/c9-6-3-11-15(4-6)5-14-2-1-7(13-14)8(16)12-10/h1-4H,5,10H2,(H,12,16)
InChi Info:
AuxInfo=1/1/N:1,2,14,12,10,13,5,6,16,9,15,8,4,3,11,7/rA:16nCCNNCCONNCNCCCNBr/rB:d1;s2;s3;s1d4;s5;d6;s6;s8;s3;s10;s11;d12;s13;s11d14;s13;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H9BrN6O |
All Atoms: | 25 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.54514 |
Area: | 420.334 |
Solvation: | -3.96322 |
Coulombic: | -35.7478 |
Bond Count [?]
All: | 17 |
Single: | 12 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.101 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 0.16 |
LogP (Chemaxon): | 0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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