Chemical ID: 6848076

COC(=O)C(CCCNC(=[NH2+])N[N+](=O)[O-])[NH3+]
Chemical ID:
6848076
Name [?]:
[(4-azaniumyl-4-methoxycarbonyl-butyl)amino-nitroamino-methylene]ammonium
SMILES [?]:
COC(=O)C(CCCNC(=[NH2+])N[N+](=O)[O-])[NH3+]
InChi [?]:
InChI=1/C7H15N5O4/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15/h5H,2-4,8H2,1H3,(H3,9,10,11)/p+2
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,3,10,16,11,9,12,13,4,14,15,2/E:(14,15)/CRV:12.5/rA:16cCOCOCCCCNCN+NN+OO-N+/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s10;s12;d13;s13;s5;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H17N5O4+2
All Atoms:33
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:-106.775
Area:439.712
Solvation:-117.768
Coulombic:37.6461
Bond Count [?]
All:15
Single:12
Double:3
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:235.241
H-Bond Donors:4
H-Bond Acceptors:9
XLogP:-0.39
LogP (Chemaxon):-1.98

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Descriptor Annotations

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