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Chemical ID: 4488947
Chemical ID:
4488947
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)Cc4ccc(cc4)OC)c5ccc(cc5)C(=O)OC
InChi [?]:
InChI=1/C29H25NO6/c1-16-13-22-23(14-17(16)2)36-27-24(26(22)31)25(19-7-9-20(10-8-19)29(33)35-4)30(28(27)32)15-18-5-11-21(34-3)12-6-18/h5-14,25H,15H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,26,36,20,24,28,32,29,31,21,23,3,6,18,2,7,19,27,30,22,4,5,11,14,12,10,16,33,15,13,17,34,25,35,9/E:(5,6)(7,8)(9,10)(11,12)/rA:36cCCCCCCCCOCCCOCNCOCCCCCCCOCCCCCCCCOOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;s18;s19;d20;s21;d22;d19s23;s22;s25;s14;s27;d28;s29;d30;d27s31;s30;d33;s33;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H25NO6 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.3625 |
Area: | 674.154 |
Solvation: | -5.49135 |
Coulombic: | -62.9833 |
Bond Count [?]
All: | 40 |
Single: | 27 |
Double: | 13 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 483.512 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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