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Chemical ID: 4425281
Chemical ID:
4425281
Name [?]:
None
SMILES [?]:
Cc1ccccc1OCc2nc3c4c(c(oc4ncn3n2)c5ccc(cc5)OC)c6ccc(cc6)OC
InChi [?]:
InChI=1/C29H24N4O4/c1-18-6-4-5-7-23(18)36-16-24-31-28-26-25(19-8-12-21(34-2)13-9-19)27(20-10-14-22(35-3)15-11-20)37-29(26)30-17-33(28)32-24/h4-15,17H,16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,37,29,4,5,3,6,31,35,23,27,32,34,24,26,9,19,2,30,22,33,25,7,10,14,13,15,12,17,18,11,21,20,36,28,8,16/E:(8,9)(10,11)(12,13)(14,15)/rA:37nCCCCCCCOCCNCCCCOCNCNNCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;s13;d14;s15;d13s16;s17;d18;s12s19;d10s20;s15;s22;d23;s24;d25;d22s26;s25;s28;s14;s30;d31;s32;d33;d30s34;s33;s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H24N4O4 |
All Atoms: | 37 |
Heavy Atoms: | 37 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.8859 |
Area: | 738.279 |
Solvation: | -6.57111 |
Coulombic: | -49.4903 |
Bond Count [?]
All: | 42 |
Single: | 28 |
Double: | 14 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 492.525 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 5.56 |
LogP (Chemaxon): | 6.64 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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