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Chemical ID: 4560630
Chemical ID:
4560630
Name [?]:
None
SMILES [?]:
CC(C)Cc1ccc(cc1)C(=O)CC2c3c(cc4c(c3OC)OCO4)CCN2C
InChi [?]:
InChI=1/C24H29NO4/c1-15(2)11-16-5-7-17(8-6-16)20(26)13-19-22-18(9-10-25(19)3)12-21-23(24(22)27-4)29-14-28-21/h5-8,12,15,19H,9-11,13-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,29,22,6,10,7,9,26,27,4,17,13,24,2,5,8,16,14,11,18,15,19,20,28,12,21,25,23/E:(1,2)(5,6)(7,8)/rA:29cCCCCCCCCCCCOCCCCCCCCOCOCOCCNC/rB:s1;s2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s19;s23;s18s24;s16;s26;s14s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H29NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.0613 |
Area: | 600.025 |
Solvation: | -4.93937 |
Coulombic: | -38.4772 |
Bond Count [?]
All: | 32 |
Single: | 25 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 395.491 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 4.85 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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