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Chemical ID: 4893312
Chemical ID:
4893312
Name [?]:
None
SMILES [?]:
CCCC(C(=O)Oc1cc(cc2c1c3c(c(=O)o2)CCC3)C)NS(=O)(=O)c4ccc(cc4)C
InChi [?]:
InChI=1/C25H27NO6S/c1-4-6-20(26-33(29,30)17-11-9-15(2)10-12-17)25(28)32-22-14-16(3)13-21-23(22)18-7-5-8-19(18)24(27)31-21/h9-14,20,26H,4-8H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,33,22,2,20,3,21,19,29,31,28,32,11,9,30,10,27,14,15,4,12,8,13,16,5,23,17,6,25,26,18,7,24/E:(9,10)(11,12)(29,30)/CRV:33.6/rA:33cCCCCCOOCCCCCCCCCOOCCCCNSOOCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;d8s12;s13;d14;s15;d16;s12s16;s15;s19;s14s20;s10;s4;s23;d24;d24;s24;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C25H27NO6S |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 12.8866 |
Area: | 673.977 |
Solvation: | -3.9628 |
Coulombic: | -51.2766 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 469.551 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 4.74 |
LogP (Chemaxon): | 5.41 |
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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