Chemical ID: 6934596

CCCCCCNC(=O)c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]
Chemical ID:
6934596
Name [?]:
4-chloro-N-hexyl-3,5-dinitro-benzamide
SMILES [?]:
CCCCCCNC(=O)c1cc(c(c(c1)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H16ClN3O5/c1-2-3-4-5-6-15-13(18)9-7-10(16(19)20)12(14)11(8-9)17(21)22/h7-8H,2-6H2,1H3,(H,15,18)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,6,11,15,10,12,14,13,8,19,7,20,16,9,21,22,17,18/E:(7,8)(10,11)(16,17)(19,20,21,22)/CRV:16.5,17.5/rA:22nCCCCCCNCOCCCCCCN+OO-ClN+OO-/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;s12;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClN3O5
All Atoms:38
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-2.14692
Area:545.279
Solvation:-15.7789
Coulombic:-35.9647
Bond Count [?]
All:22
Single:16
Double:6
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:329.736
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.08
LogP (Chemaxon):3.37

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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