ChemDB: Chemical Search
Download
Chemical ID: 7702950
Chemical ID:
7702950
Name [?]:
None
SMILES [?]:
CC(C(=O)NN=Cc1ccc(cc1)OC(=O)c2ccc(c(c2)OC)OC)Oc3ccc(cc3)c4ccccc4
InChi [?]:
InChI=1/C31H28N2O6/c1-21(38-26-16-11-24(12-17-26)23-7-5-4-6-8-23)30(34)33-32-20-22-9-14-27(15-10-22)39-31(35)25-13-18-28(36-2)29(19-25)37-3/h4-21H,1-3H3,(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,26,24,37,36,38,35,39,9,13,30,32,18,10,12,29,33,19,22,7,2,8,34,31,17,28,11,20,21,3,15,6,5,4,16,25,23,27,14/E:(5,6)(7,8)(9,10)(11,12)(14,15)(16,17)/rA:39cCCCONNCCCCCCCOCOCCCCCCOCOCOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s21;s23;s20;s25;s2;s27;s28;d29;s30;d31;d28s32;s31;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H28N2O6 |
All Atoms: | 67 |
Heavy Atoms: | 39 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9382 |
Area: | 821.591 |
Solvation: | -9.60152 |
Coulombic: | -61.76 |
Bond Count [?]
All: | 42 |
Single: | 27 |
Double: | 15 |
Rotors: | 12 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 7.21 |
LogP (Chemaxon): | None |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|