ChemDB: Chemical Search
Download
Chemical ID: 6814714
Chemical ID:
6814714
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1C)n2c(=O)c3cc4c(c(c3c2=O)C(=O)c5ccc(cc5)C(=O)[O-])c(=O)n(c4=O)c6ccc(c(c6)C)C
InChi [?]:
InChI=1/C34H24N2O7/c1-16-5-11-22(13-18(16)3)35-30(38)24-15-25-27(33(41)36(31(25)39)23-12-6-17(2)19(4)14-23)28(26(24)32(35)40)29(37)20-7-9-21(10-8-20)34(42)43/h5-15H,1-4H3,(H,42,43)/p-1
InChi Info:
AuxInfo=1/1/N:1,43,8,42,3,38,23,27,24,26,4,37,6,41,13,2,39,7,40,22,25,5,36,12,14,17,15,16,20,10,34,18,31,28,9,33,21,11,35,19,32,29,30/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(16,17)(18,19)(22,23)(24,25)(26,27)(30,31)(32,33)(35,36)(38,39)(40,41)(42,43)/rA:43nCCCCCCCCNCOCCCCCCCOCOCCCCCCCOO-CONCOCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s9s17;d18;s16;d20;s20;s22;d23;s24;d25;d22s26;s25;d28;s28;s15;d31;s31;s14s33;d34;s33;s36;d37;s38;d39;d36s40;s40;s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C34H23N2O7- |
All Atoms: | 66 |
Heavy Atoms: | 43 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -26.9759 |
Area: | 792.18 |
Solvation: | -46.7804 |
Coulombic: | -59.3964 |
Bond Count [?]
All: | 48 |
Single: | 30 |
Double: | 18 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 571.556 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 5.81 |
LogP (Chemaxon): | 4.57 |
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 |
---|