Chemical ID: 6376173

Cc1ccc(cc1NC(=O)c2ccc(cc2[N+](=O)[O-])Cl)Cl
Chemical ID:
6376173
Name [?]:
4-chloro-N-(5-chloro-2-methyl-phenyl)-2-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1NC(=O)c2ccc(cc2[N+](=O)[O-])Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2O3/c1-8-2-3-9(15)6-12(8)17-14(19)11-5-4-10(16)7-13(11)18(20)21/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,13,12,6,15,2,5,14,11,7,16,9,21,20,8,17,10,18,19/E:(20,21)/CRV:18.5/rA:21nCCCCCCCNCOCCCCCCN+OO-ClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;d17;s17;s14;s5;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.61181
Area:501.171
Solvation:-8.91746
Coulombic:-30.0325
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:4.23
LogP (Chemaxon):3.91

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