Chemical ID: 4171408

c1ccc(c(c1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)Cl
Chemical ID:
4171408
Name [?]:
4-chloro-N-(2-chlorophenyl)-3-nitro-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2ccc(c(c2)[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C13H8Cl2N2O3/c14-9-3-1-2-4-11(9)16-13(18)8-5-6-10(15)12(7-8)17(19)20/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:2,1,3,6,11,12,15,10,4,13,5,14,8,20,19,7,16,9,17,18/E:(19,20)/CRV:17.5/rA:20nCCCCCCNCOCCCCCCN+OO-ClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s14;d16;s16;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H8Cl2N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:4.29588
Area:478.903
Solvation:-7.67669
Coulombic:-32.9897
Bond Count [?]
All:21
Single:13
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:311.12
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.01
LogP (Chemaxon):3.44

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