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Chemical ID: 7459012
Chemical ID:
7459012
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4cccc(c4)N(=O)=O)CCCOC(C)C
InChi [?]:
InChI=1/C24H24N2O6/c1-14(2)31-11-5-10-25-21(16-6-4-7-17(13-16)26(29)30)20-22(27)18-12-15(3)8-9-19(18)32-23(20)24(25)28/h4,6-9,12-14,21H,5,10-11H2,1-3H3
InChi Info:
AuxInfo=1/0/N:31,32,1,19,27,18,20,3,4,26,28,7,22,30,2,17,21,6,5,10,16,8,11,13,15,23,9,14,24,25,29,12/E:(1,2)(29,30)/CRV:26.5/rA:32cCCCCCCCCOCCOCONCCCCCCCNOOCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s21;d23;d23;s15;s26;s27;s28;s29;s30;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H24N2O6 |
All Atoms: | 56 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.72773 |
Area: | 679.263 |
Solvation: | -10.2538 |
Coulombic: | -54.1445 |
Bond Count [?]
All: | 35 |
Single: | 24 |
Double: | 11 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 436.457 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 3.8 |
LogP (Chemaxon): | 3.72 |
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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