Chemical ID: 6935515

Cc1ccc(cc1Cl)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]
Chemical ID:
6935515
Name [?]:
4-chloro-N-(3-chloro-4-methyl-phenyl)-3,5-dinitro-benzamide
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)c2cc(c(c(c2)[N+](=O)[O-])Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H9Cl2N3O5/c1-7-2-3-9(6-10(7)15)17-14(20)8-4-11(18(21)22)13(16)12(5-8)19(23)24/h2-6H,1H3,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,17,6,2,12,5,7,14,16,15,10,8,21,9,22,18,11,23,24,19,20/E:(4,5)(11,12)(18,19)(21,22,23,24)/CRV:18.5,19.5/rA:24nCCCCCCCClNCOCCCCCCN+OO-ClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;d18;s18;s15;s14;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H9Cl2N3O5
All Atoms:33
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:-2.75244
Area:538.174
Solvation:-16.2068
Coulombic:-34.7713
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:370.144
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:4.0
LogP (Chemaxon):4.51

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Descriptor Annotations

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