Chemical ID: 4196046

COc1cc(ccc1NC(=O)c2cc(ccc2Cl)Cl)[N+](=O)[O-]
Chemical ID:
4196046
Name [?]:
2,5-dichloro-N-(2-methoxy-4-nitro-phenyl)-benzamide
SMILES [?]:
COc1cc(ccc1NC(=O)c2cc(ccc2Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H10Cl2N2O4/c1-22-13-7-9(18(20)21)3-5-12(13)17-14(19)10-6-8(15)2-4-11(10)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,15,6,16,7,13,4,14,5,12,17,8,3,10,19,18,9,20,11,21,22,2/E:(20,21)/CRV:18.5/rA:22nCOCCCCCCNCOCCCCCCClClN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s14;s5;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10Cl2N2O4
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:4.53401
Area:518.81
Solvation:-8.43624
Coulombic:-39.7646
Bond Count [?]
All:23
Single:15
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.146
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.92
LogP (Chemaxon):3.84

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