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Chemical ID: 7521972
Chemical ID:
7521972
Name [?]:
None
SMILES [?]:
CCOc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2c5cccc(c5)C(F)(F)F
InChi [?]:
InChI=1/C27H20F3NO5/c1-3-35-20-12-11-15(13-21(20)34-2)23-22-24(32)18-9-4-5-10-19(18)36-25(22)26(33)31(23)17-8-6-7-16(14-17)27(28,29)30/h4-14,23H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,18,19,29,30,28,17,20,6,5,8,32,7,31,27,16,21,4,9,13,12,14,23,24,33,34,35,36,26,15,25,10,3,22/E:(28,29,30)/rA:36cCCOCCCCCCOCCCCOCCCCCCOCCONCCCCCCCFFF/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s7;s12;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s12s24;s26;s27;d28;s29;d30;d27s31;s31;s33;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H20F3NO5 |
All Atoms: | 56 |
Heavy Atoms: | 36 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.56269 |
Area: | 671.844 |
Solvation: | -7.2334 |
Coulombic: | -67.7541 |
Bond Count [?]
All: | 40 |
Single: | 28 |
Double: | 12 |
Rotors: | 6 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.9 |
LogP (Chemaxon): | None |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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