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Chemical ID: 5612708
Chemical ID:
5612708
Name [?]:
N-(4-ethoxy-2-nitro-phenyl)benzamide
SMILES [?]:
CCOc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2ccccc2
InChi [?]:
InChI=1/C15H14N2O4/c1-2-21-12-8-9-13(14(10-12)17(19)20)16-15(18)11-6-4-3-5-7-11/h3-10H,2H2,1H3,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,17,21,5,6,9,16,4,7,8,14,13,10,15,11,12,3/E:(4,5)(6,7)(19,20)/CRV:17.5/rA:21nCCOCCCCCCN+OO-NCOCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;d10;s10;s7;s13;d14;s14;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H14N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.41235 |
Area: | 479.42 |
Solvation: | -6.57316 |
Coulombic: | -43.3591 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 286.283 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.74 |
LogP (Chemaxon): | 3.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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