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Chemical ID: 7197041
Chemical ID:
7197041
Name [?]:
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetohydrazide
SMILES [?]:
c1c(n(nc1C(F)F)CC(=O)NN)C2CC2
InChi [?]:
InChI=1/C9H12F2N4O/c10-9(11)6-3-7(5-1-2-5)15(14-6)4-8(16)13-12/h3,5,9H,1-2,4,12H2,(H,13,16)
InChi Info:
AuxInfo=1/1/N:15,16,1,9,14,5,2,10,6,7,8,13,12,4,3,11/E:(1,2)(10,11)/rA:16nCCNNCCFFCCONNCCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s3;s9;d10;s10;s12;s2;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H12F2N4O |
All Atoms: | 28 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.05798 |
Area: | 395.933 |
Solvation: | -5.84034 |
Coulombic: | -39.2186 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 230.215 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | -0.27 |
LogP (Chemaxon): | -0.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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