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Chemical ID: 7197457
Chemical ID:
7197457
Name [?]:
2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanehydrazide
SMILES [?]:
Cc1c(c(n(n1)C(C)C(=O)NN)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H13N5O3/c1-4-7(13(15)16)5(2)12(11-4)6(3)8(14)10-9/h6H,9H2,1-3H3,(H,10,14)
InChi Info:
AuxInfo=1/1/N:1,13,8,2,4,7,3,9,12,11,6,5,14,10,15,16/E:(15,16)/CRV:13.5/rA:16cCCCCNNCCCONNCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s4;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H13N5O3 |
All Atoms: | 29 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 1.98164 |
Area: | 406.775 |
Solvation: | -8.18773 |
Coulombic: | -43.7608 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 227.221 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.23 |
LogP (Chemaxon): | -0.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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