Chemical ID: 7029056

Cc1cc(ccc1NC(=O)c2ccc(o2)c3ccc(cc3)Cl)[N+](=O)[O-]
Chemical ID:
7029056
Name [?]:
5-(4-chlorophenyl)-N-(2-methyl-4-nitro-phenyl)-furan-2-carboxamide
SMILES [?]:
Cc1cc(ccc1NC(=O)c2ccc(o2)c3ccc(cc3)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C18H13ClN2O4/c1-11-10-14(21(23)24)6-7-15(11)20-18(22)17-9-8-16(25-17)12-2-4-13(19)5-3-12/h2-10H,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,17,21,18,20,5,6,13,12,3,2,16,19,4,7,14,11,9,22,8,23,10,24,25,15/E:(2,3)(4,5)(23,24)/CRV:21.5/rA:25nCCCCCCCNCOCCCCOCCCCCCClN+OO-/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;d11;s12;d13;s11s14;s14;s16;d17;s18;d19;d16s20;s19;s4;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H13ClN2O4
All Atoms:38
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:6.93119
Area:571.57
Solvation:-7.35806
Coulombic:-43.8412
Bond Count [?]
All:27
Single:17
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:356.76
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.26
LogP (Chemaxon):3.79

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