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Chemical ID: 6935516
Chemical ID:
6935516
Name [?]:
4-chloro-N-(2,4-dichlorophenyl)-3,5-dinitro-benzamide
SMILES [?]:
c1cc(c(cc1Cl)Cl)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H6Cl3N3O5/c14-7-1-2-9(8(15)5-7)17-13(20)6-3-10(18(21)22)12(16)11(4-6)19(23)24/h1-5H,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,13,17,5,12,6,4,3,14,16,15,10,7,8,21,9,22,18,11,23,24,19,20/E:(3,4)(10,11)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24nCCCCCCClClNCOCCCCCCN+OO-ClN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;s3;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H6Cl3N3O5 |
All Atoms: | 30 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -2.15591 |
Area: | 550.967 |
Solvation: | -15.9301 |
Coulombic: | -35.2456 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 390.562 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 8 |
XLogP: | 4.4 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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