Chemical ID: 7366234

CC(=O)NCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])N
Chemical ID:
7366234
Name [?]:
N-(2-acetamidoethyl)-4-amino-3-nitro-benzamide
SMILES [?]:
CC(=O)NCCNC(=O)c1ccc(c(c1)[N+](=O)[O-])N
InChi [?]:
InChI=1/C11H14N4O4/c1-7(16)13-4-5-14-11(17)8-2-3-9(12)10(6-8)15(18)19/h2-3,6H,4-5,12H2,1H3,(H,13,16)(H,14,17)
InChi Info:
AuxInfo=1/1/N:1,11,12,5,6,15,2,10,13,14,8,19,4,7,16,3,9,17,18/E:(18,19)/CRV:15.5/rA:19nCCONCCNCOCCCCCCN+OO-N/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H14N4O4
All Atoms:33
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:3.4033
Area:478.445
Solvation:-8.55782
Coulombic:-68.7801
Bond Count [?]
All:19
Single:13
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:266.253
H-Bond Donors:4
H-Bond Acceptors:8
XLogP:0.52
LogP (Chemaxon):-0.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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