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Chemical ID: 7385207
Chemical ID:
7385207
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)O)Cc5ccc(cc5)OC
InChi [?]:
InChI=1/C26H20ClNO5/c1-14-10-21-19(12-20(14)27)24(30)22-23(16-4-3-5-17(29)11-16)28(26(31)25(22)33-21)13-15-6-8-18(32-2)9-7-15/h3-12,23,29H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,33,20,19,21,27,31,28,30,3,23,6,25,2,26,18,22,29,5,7,4,11,17,9,12,14,8,16,24,10,15,32,13/E:(6,7)(8,9)/rA:33cCCCCCCCClCOCCOCONCCCCCCCOCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s16;s25;s26;d27;s28;d29;d26s30;s29;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20ClNO5 |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0271 |
Area: | 668.747 |
Solvation: | -5.69161 |
Coulombic: | -58.7568 |
Bond Count [?]
All: | 37 |
Single: | 25 |
Double: | 12 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 461.893 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.49 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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