Chemical ID: 7215419

Cc1cc(nn1CCNC(=O)Cn2c(c(c(n2)[N+](=O)[O-])Br)C)[N+](=O)[O-]
Chemical ID:
7215419
Name [?]:
2-(4-bromo-5-methyl-3-nitro-pyrazol-1-yl)-N-[2-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]acetamide
SMILES [?]:
Cc1cc(nn1CCNC(=O)Cn2c(c(c(n2)[N+](=O)[O-])Br)C)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H14BrN7O5/c1-7-5-9(19(22)23)15-17(7)4-3-14-10(21)6-18-8(2)11(13)12(16-18)20(24)25/h5H,3-4,6H2,1-2H3,(H,14,21)
InChi Info:
AuxInfo=1/1/N:1,22,8,7,3,12,2,14,4,10,15,16,21,9,5,17,6,13,23,18,11,24,25,19,20/E:(22,23)(24,25)/CRV:19.5,20.5/rA:25nCCCCNNCCNCOCNCCCNN+OO-BrCN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;s9;d10;s10;s12;s13;d14;s15;s13d16;s16;d18;s18;s15;s14;s4;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H14BrN7O5
All Atoms:39
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-0.264991
Area:588.855
Solvation:-14.9864
Coulombic:-58.4207
Bond Count [?]
All:26
Single:19
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:416.188
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:1.53
LogP (Chemaxon):1.51

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