Chemical ID: 6935516

c1cc(c(cc1Cl)Cl)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]
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

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Descriptor Annotations

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