Chemical ID: 4196269

Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cccc(c2Cl)Cl
Chemical ID:
4196269
Name [?]:
2,3-dichloro-N-(4-methyl-2-nitro-phenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2O3/c1-8-5-6-11(12(7-8)18(20)21)17-14(19)9-3-2-4-10(15)13(9)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,4,7,2,14,18,5,6,19,12,21,20,11,8,13,9,10/E:(20,21)/CRV:18.5/rA:21nCCCCCCCN+OO-NCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:6.43886
Area:486.166
Solvation:-5.7153
Coulombic:-36.9793
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:325.146
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:5.09
LogP (Chemaxon):4.56

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