Chemical ID: 6500310

COC(=O)CNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Chemical ID:
6500310
Name [?]:
methyl 2-(3,5-dinitrobenzoyl)aminoacetate
SMILES [?]:
COC(=O)CNC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
InChi [?]:
InChI=1/C10H9N3O7/c1-20-9(14)5-11-10(15)6-2-7(12(16)17)4-8(3-6)13(18)19/h2-4H,5H2,1H3,(H,11,15)
InChi Info:
AuxInfo=1/1/N:1,10,14,12,5,9,11,13,3,7,6,18,15,4,8,19,20,16,17,2/E:(2,3)(7,8)(12,13)(16,17,18,19)/CRV:12.5,13.5/rA:20nCOCOCNCOCCCCCCN+OO-N+OO-/rB:s1;s2;d3;s3;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s13;d15;s15;s11;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N3O7
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-3.20772
Area:480.428
Solvation:-15.2184
Coulombic:-55.4633
Bond Count [?]
All:20
Single:13
Double:7
Rotors:7
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:283.194
H-Bond Donors:1
H-Bond Acceptors:10
XLogP:0.67
LogP (Chemaxon):0.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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