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Chemical ID: 4226076
Chemical ID:
4226076
Name [?]:
3-chloro-4-ethoxy-N-(2-nitrophenyl)-benzamide
SMILES [?]:
CCOc1ccc(cc1Cl)C(=O)Nc2ccccc2[N+](=O)[O-]
InChi [?]:
InChI=1/C15H13ClN2O4/c1-2-22-14-8-7-10(9-11(14)16)15(19)17-12-5-3-4-6-13(12)18(20)21/h3-9H,2H2,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,6,5,8,7,9,14,19,4,11,10,13,20,12,21,22,3/E:(20,21)/CRV:18.5/rA:22nCCOCCCCCCClCONCCCCCCN+OO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s7;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H13ClN2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.42993 |
Area: | 506.158 |
Solvation: | -7.22403 |
Coulombic: | -43.4515 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 320.728 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.37 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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