Chemical ID: 6761511

C1C=CC2(CC1(C[NH+](C2)CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6761511
Name [?]:
2-(1,5-dinitro-3-azoniabicyclo[3.3.1]non-7-en-3-yl)acetate
SMILES [?]:
C1C=CC2(CC1(C[NH+](C2)CC(=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C10H13N3O6/c14-8(15)4-11-6-9(12(16)17)2-1-3-10(5-9,7-11)13(18)19/h1-2H,3-7H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:2,3,1,10,5,9,7,11,4,6,8,17,14,12,13,18,19,15,16/E:(14,15)(16,17)(18,19)/CRV:12.5,13.5/rA:19cCCCCCCCN+CCCOO-N+OO-N+OO-/rB:s1;d2;s3;s4;s1s5;s6;s7;s4s8;s8;s10;d11;s11;s6;d14;s14;s4;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13N3O6
All Atoms:32
Heavy Atoms:19
Chiral Atoms:3
ZAP Information [?]
Total:-36.1419
Area:409.848
Solvation:-46.3881
Coulombic:-17.2626
Bond Count [?]
All:20
Single:16
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.227
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:-0.9
LogP (Chemaxon):-2.65

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