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Chemical ID: 4903020
Chemical ID:
4903020
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccccc4)CCCOC(C)C
InChi [?]:
InChI=1/C24H25NO4/c1-15(2)28-13-7-12-25-21(17-8-5-4-6-9-17)20-22(26)18-14-16(3)10-11-19(18)29-23(20)24(25)27/h4-6,8-11,14-15,21H,7,12-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:28,29,1,20,19,21,24,18,22,3,4,23,25,7,27,2,17,6,5,10,16,8,11,13,15,9,14,26,12/E:(1,2)(5,6)(8,9)/rA:29cCCCCCCCCOCCOCONCCCCCCCCCCOCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s15;s23;s24;s25;s26;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H25NO4 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.2915 |
Area: | 629.354 |
Solvation: | -4.44233 |
Coulombic: | -44.0392 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 391.46 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 3.91 |
LogP (Chemaxon): | 3.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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