Chemical ID: 3967837

C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
Chemical ID:
3967837
Name [?]:
1,2,3-trinitrooxypropane
SMILES [?]:
C(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]
InChi [?]:
InChI=1/C3H5N3O9/c7-4(8)13-1-3(15-6(11)12)2-14-5(9)10/h3H,1-2H2
InChi Info:
AuxInfo=1/0/N:1,3,2,13,5,9,14,15,6,7,10,11,12,4,8/E:(1,2)(4,5)(7,8,9,10)(11,12)(13,14)/CRV:4.5,5.5,6.5/rA:15nCCCON+OO-ON+OO-ON+OO-/rB:s1;s2;s3;s4;d5;s5;s2;s8;d9;s9;s1;s12;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C3H5N3O9
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:-11.4044
Area:390.378
Solvation:-21.1639
Coulombic:-30.2262
Bond Count [?]
All:14
Single:11
Double:3
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:227.087
H-Bond Donors:0
H-Bond Acceptors:12
XLogP:0.61
LogP (Chemaxon):1.48

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Descriptor Annotations

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