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Chemical ID: 6934590
Chemical ID:
6934590
Name [?]:
4-chloro-N-(3,4-dichlorophenyl)-3,5-dinitro-benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C13H6Cl3N3O5/c14-8-2-1-7(5-9(8)15)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:1,2,11,15,5,10,6,3,4,12,14,13,8,24,23,19,7,20,16,9,21,22,17,18/E:(3,4)(10,11)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24nCCCCCCNCOCCCCCCN+OO-ClN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;s12;d20;s20;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H6Cl3N3O5 |
All Atoms: | 30 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -2.61011 |
Area: | 551.044 |
Solvation: | -16.3862 |
Coulombic: | -34.6415 |
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): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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