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Chemical ID: 7390129
Chemical ID:
7390129
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1Cl)c(=O)c3c(o2)C(=O)N(C3c4ccc(c(c4)OC)O)Cc5ccccc5
InChi [?]:
InChI=1/C26H20ClNO5/c1-14-10-20-17(12-18(14)27)24(30)22-23(16-8-9-19(29)21(11-16)32-2)28(26(31)25(22)33-20)13-15-6-4-3-5-7-15/h3-12,23,29H,13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,31,30,32,29,33,19,20,3,23,6,27,2,28,18,5,7,21,4,22,11,17,9,12,14,8,16,26,10,15,24,13/E:(4,5)(6,7)/rA:33cCCCCCCCClCOCCOCONCCCCCCCOCOCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;d9;s9;d11;s4s12;s12;d14;s14;s11s16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21;s16;s27;s28;d29;s30;d31;d28s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H20ClNO5 |
All Atoms: | 53 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.7007 |
Area: | 663.609 |
Solvation: | -5.88948 |
Coulombic: | -59.212 |
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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