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Chemical ID: 7327787
Chemical ID:
7327787
Name [?]:
None
SMILES [?]:
COc1ccccc1N2CCN(CC2)Cc3cc(=O)oc4c3cc5c(c4)CCC5
InChi [?]:
InChI=1/C24H26N2O3/c1-28-22-8-3-2-7-21(22)26-11-9-25(10-12-26)16-19-15-24(27)29-23-14-18-6-4-5-17(18)13-20(19)23/h2-3,7-8,13-15H,4-6,9-12,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,6,5,28,29,27,7,4,11,13,10,14,23,26,17,15,24,25,16,22,8,3,21,18,12,9,19,2,20/E:(9,10)(11,12)/rA:29nCOCCCCCCNCCNCCCCCCOOCCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s9s13;s12;s15;d16;s17;d18;s18;s20;s16s21;d22;s23;d24;d21s25;s25;s27;s24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H26N2O3 |
All Atoms: | 55 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.0499 |
Area: | 603.657 |
Solvation: | -5.04158 |
Coulombic: | -37.6356 |
Bond Count [?]
All: | 33 |
Single: | 25 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 390.475 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 4.06 |
LogP (Chemaxon): | 4.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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