Chemical ID: 7514472

Cc1ccc(cc1Cl)c2ccc(o2)C(=O)Nc3ccc(cc3Cl)[N+](=O)[O-]
Chemical ID:
7514472
Name [?]:
5-(3-chloro-4-methyl-phenyl)-N-(2-chloro-4-nitro-phenyl)-furan-2-carboxamide
SMILES [?]:
Cc1ccc(cc1Cl)c2ccc(o2)C(=O)Nc3ccc(cc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H12Cl2N2O4/c1-10-2-3-11(8-13(10)19)16-6-7-17(26-16)18(23)21-15-5-4-12(22(24)25)9-14(15)20/h2-9H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,18,10,11,6,21,2,5,20,7,22,17,9,12,14,8,23,16,24,15,25,26,13/E:(24,25)/CRV:22.5/rA:26nCCCCCCCClCCCCOCONCCCCCCClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s10;d11;s9s12;s12;d14;s14;s16;s17;d18;s19;d20;d17s21;s22;s20;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H12Cl2N2O4
All Atoms:38
Heavy Atoms:26
Chiral Atoms:None
ZAP Information [?]
Total:7.60605
Area:599.601
Solvation:-7.38398
Coulombic:-43.2833
Bond Count [?]
All:28
Single:18
Double:10
Rotors:5
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.88
LogP (Chemaxon):None

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