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Chemical ID: 7189329
Chemical ID:
7189329
Name [?]:
4-methyl-2-(1,1,2,2,2-pentafluoroethyl)-1,5,9-triazabicyclo[4.3.0]nona-6,8-diene-8-carbohydrazide
SMILES [?]:
CC1CC(n2c(cc(n2)C(=O)NN)N1)C(C(F)(F)F)(F)F
InChi [?]:
InChI=1/C10H12F5N5O/c1-4-2-6(9(11,12)10(13,14)15)20-7(17-4)3-5(19-20)8(21)18-16/h3-4,6,17H,2,16H2,1H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,2,8,4,6,10,15,16,20,21,17,18,19,13,14,12,9,5,11/E:(11,12)(13,14,15)/rA:21cCCCCNCCCNCONNNCCFFFFF/rB:s1;s2;s3;s4;s5;d6;s7;s5d8;s8;d10;s10;s12;s2s6;s4;s15;s16;s16;s16;s15;s15;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12F5N5O |
All Atoms: | 33 |
Heavy Atoms: | 21 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.87136 |
Area: | 434.106 |
Solvation: | -3.9813 |
Coulombic: | -74.2667 |
Bond Count [?]
All: | 22 |
Single: | 19 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 313.227 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.01 |
LogP (Chemaxon): | 1.04 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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