Chemical ID: 5762318

c1cc(c(cc1C(=O)Nc2cc(ccc2Cl)Cl)[N+](=O)[O-])Cl
Chemical ID:
5762318
Name [?]:
4-chloro-N-(2,5-dichlorophenyl)-3-nitro-benzamide
SMILES [?]:
c1cc(c(cc1C(=O)Nc2cc(ccc2Cl)Cl)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C13H7Cl3N2O3/c14-8-2-4-9(15)11(6-8)17-13(19)7-1-3-10(16)12(5-7)18(20)21/h1-6H,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,13,2,14,5,11,6,12,15,3,10,4,7,17,16,21,9,18,8,19,20/E:(20,21)/CRV:18.5/rA:21nCCCCCCCONCCCCCCClClN+OO-Cl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s12;s4;d18;s18;s3;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H7Cl3N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:5.03686
Area:513.501
Solvation:-7.80067
Coulombic:-32.6682
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:345.564
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.63
LogP (Chemaxon):3.96

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue