Chemical ID: 6415836

Cc1cc(c(cc1Cl)c2ccc(o2)C=NNC(=N[N+](=O)[O-])N)[N+](=O)[O-]
Chemical ID:
6415836
Name [?]:
1-[[5-(5-chloro-4-methyl-2-nitro-phenyl)-2-furyl]methyleneamino]-2-nitro-guanidine
SMILES [?]:
Cc1cc(c(cc1Cl)c2ccc(o2)C=NNC(=N[N+](=O)[O-])N)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H11ClN6O5/c1-7-4-11(19(21)22)9(5-10(7)14)12-3-2-8(25-12)6-16-17-13(15)18-20(23)24/h2-6H,1H3,(H3,15,17,18)
InChi Info:
AuxInfo=1/1/N:1,11,10,3,6,14,2,12,5,7,4,9,17,8,22,15,16,18,23,19,24,25,20,21,13/E:(21,22)(23,24)/CRV:19.5,20.5/rA:25nCCCCCCCClCCCCOCNNCNN+OO-NN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;w14;s15;s16;w17;s18;d19;s19;s17;s4;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H11ClN6O5
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:2.31186
Area:509.033
Solvation:-10.414
Coulombic:-59.7551
Bond Count [?]
All:26
Single:17
Double:9
Rotors:6
Chiral:2
Rigid Segments:6
Chemical Properties
Molecular Weight:366.717
H-Bond Donors:3
H-Bond Acceptors:10
XLogP:4.26
LogP (Chemaxon):3.65

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