Chemical ID: 6299635

Cc1c(c(n(n1)CCC(=O)NN)C)[N+](=O)[O-]
Chemical ID:
6299635
Name [?]:
3-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanehydrazide
SMILES [?]:
Cc1c(c(n(n1)CCC(=O)NN)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C8H13N5O3/c1-5-8(13(15)16)6(2)12(11-5)4-3-7(14)10-9/h3-4,9H2,1-2H3,(H,10,14)
InChi Info:
AuxInfo=1/1/N:1,13,8,7,2,4,9,3,12,11,6,5,14,10,15,16/E:(15,16)/CRV:13.5/rA:16nCCCCNNCCCONNCN+OO-/rB:s1;s2;d3;s4;d2s5;s5;s7;s8;d9;s9;s11;s4;s3;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H13N5O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:2.49034
Area:417.861
Solvation:-7.95619
Coulombic:-42.7785
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:227.221
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:-0.6
LogP (Chemaxon):-0.7

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Descriptor Annotations

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