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Chemical ID: 5206447
Chemical ID:
5206447
Name [?]:
None
SMILES [?]:
CN(C)c1ccc2c(c1)Oc3cc(ccc3C24c5ccccc5C(=O)O4)N(C)C
InChi [?]:
InChI=1/C24H22N2O3/c1-25(2)15-9-11-19-21(13-15)28-22-14-16(26(3)4)10-12-20(22)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,28,29,21,20,22,19,5,14,6,15,9,12,4,13,23,18,7,16,8,11,24,17,2,27,25,10,26/E:(1,2,3,4)(9,10)(11,12)(13,14)(15,16)(19,20)(21,22)(25,26)/rA:29nCNCCCCCCCOCCCCCCCCCCCCCCOONCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s13;d14;d11s15;s7s16;s17;s18;d19;s20;d21;d18s22;s23;d24;s17s24;s13;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H22N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7094 |
Area: | 581.068 |
Solvation: | -3.8173 |
Coulombic: | -41.9081 |
Bond Count [?]
All: | 33 |
Single: | 23 |
Double: | 10 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 386.443 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 5.06 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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