Chemical ID: 6934590

c1cc(c(cc1NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-])Cl)Cl
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

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Descriptor Annotations

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