Chemical ID: 6934154

Cc1c(cccc1[N+](=O)[O-])NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
Chemical ID:
6934154
Name [?]:
4-chloro-N-(2-methyl-3-nitro-phenyl)-3-nitro-benzamide
SMILES [?]:
Cc1c(cccc1[N+](=O)[O-])NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl
InChi [?]:
InChI=1/C14H10ClN3O5/c1-8-11(3-2-4-12(8)17(20)21)16-14(19)9-5-6-10(15)13(7-9)18(22)23/h2-7H,1H3,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,5,4,6,15,16,19,2,14,17,3,7,18,12,23,11,8,20,13,9,10,21,22/E:(20,21)(22,23)/CRV:17.5,18.5/rA:23nCCCCCCCN+OO-NCOCCCCCCN+OO-Cl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s3;s11;d12;s12;s14;d15;s16;d17;d14s18;s18;d20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClN3O5
All Atoms:33
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:-0.723018
Area:512.906
Solvation:-13.5457
Coulombic:-42.7011
Bond Count [?]
All:24
Single:15
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:335.699
H-Bond Donors:1
H-Bond Acceptors:8
XLogP:3.38
LogP (Chemaxon):3.34

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