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Chemical ID: 7366234
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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