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Chemical ID: 7080663
Chemical ID:
7080663
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2CCCOC)C)C
InChi [?]:
InChI=1/C24H25NO4/c1-14-6-8-17(9-7-14)21-20-22(26)18-12-15(2)16(3)13-19(18)29-23(20)24(27)25(21)10-5-11-28-4/h6-9,12-13,21H,5,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,28,27,24,3,7,4,6,23,25,13,16,2,14,15,5,12,17,9,8,10,19,20,22,11,21,26,18/E:(6,7)(8,9)/rA:29cCCCCCCCCCCOCCCCCCOCCONCCCOCCC/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;s26;s15;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO4 |
All Atoms: | 54 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.0472 |
Area: | 623.667 |
Solvation: | -4.5445 |
Coulombic: | -43.2615 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 391.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.9 |
LogP (Chemaxon): | 3.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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