Chemical ID: 7632111

c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)OC(=O)c6ccc(cc6)N=C(N)N)O
Chemical ID:
7632111
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)C(=O)OC23c4ccc(cc4Oc5c3ccc(c5)OC(=O)c6ccc(cc6)N=C(N)N)O
InChi [?]:
InChI=1/C28H19N3O6/c29-27(30)31-16-7-5-15(6-8-16)25(33)35-18-10-12-22-24(14-18)36-23-13-17(32)9-11-21(23)28(22)20-4-2-1-3-19(20)26(34)37-28/h1-14,32H,(H4,29,30,31)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,28,32,29,31,13,21,12,20,15,23,27,30,14,22,5,4,11,19,16,18,25,7,34,10,35,36,33,37,26,8,24,17,9/E:(5,6)(7,8)(29,30)/rA:37cCCCCCCCOOCCCCCCCOCCCCCCOCOCCCCCCNCNNO/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s4s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s10s18;d19;s20;d21;d18s22;s22;s24;d25;s25;s27;d28;s29;d30;d27s31;s30;d33;s34;s34;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H19N3O6
All Atoms:56
Heavy Atoms:37
Chiral Atoms:None
ZAP Information [?]
Total:12.3775
Area:708.685
Solvation:-5.33964
Coulombic:-102.812
Bond Count [?]
All:42
Single:27
Double:15
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.33
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