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Chemical ID: 5268363
Chemical ID:
5268363
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2CCc5ccc(cc5)OC
InChi [?]:
InChI=1/C27H23NO4/c1-17-7-11-19(12-8-17)24-23-25(29)21-5-3-4-6-22(21)32-26(23)27(30)28(24)16-15-18-9-13-20(31-2)14-10-18/h3-14,24H,15-16H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,32,14,15,13,16,3,7,26,30,4,6,27,29,24,23,2,25,5,28,12,17,9,8,10,19,20,22,11,21,31,18/E:(7,8)(9,10)(11,12)(13,14)/rA:32cCCCCCCCCCCOCCCCCCOCCONCCCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s19;d20;s8s20;s22;s23;s24;s25;d26;s27;d28;d25s29;s28;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H23NO4 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.8512 |
Area: | 655.841 |
Solvation: | -4.54479 |
Coulombic: | -44.4852 |
Bond Count [?]
All: | 36 |
Single: | 24 |
Double: | 12 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 425.476 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.64 |
LogP (Chemaxon): | 4.9 |
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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