Chemical ID: 4295920

Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2c(cccc2Cl)Cl
Chemical ID:
4295920
Name [?]:
N-(2,6-dichlorophenyl)-4-methyl-3-nitro-benzamide
SMILES [?]:
Cc1ccc(cc1[N+](=O)[O-])C(=O)Nc2c(cccc2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2O3/c1-8-5-6-9(7-12(8)18(20)21)14(19)17-13-10(15)3-2-4-11(13)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,3,4,6,2,5,15,19,7,14,11,21,20,13,8,12,9,10/E:(3,4)(10,11)(15,16)(20,21)/CRV:18.5/rA:21nCCCCCCCN+OO-CONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;s8;s5;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s15;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:4.78662
Area:490.45
Solvation:-7.47462
Coulombic:-34.2237
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):3.26

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