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Chemical ID: 4860686
Chemical ID:
4860686
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC2CCN(CC2)CN3c4ccccc4C5(C3=O)OCCCO5
InChi [?]:
InChI=1/C24H28N2O3/c27-23-24(28-15-6-16-29-24)21-9-4-5-10-22(21)26(23)18-25-13-11-20(12-14-25)17-19-7-2-1-3-8-19/h1-5,7-10,20H,6,11-18H2
InChi Info:
AuxInfo=1/0/N:1,2,6,19,18,27,3,5,20,17,9,13,10,12,26,28,7,14,4,8,21,16,23,22,11,15,24,25,29/E:(2,3)(7,8)(11,12)(13,14)(15,16)(28,29)/rA:29nCCCCCCCCCCNCCCNCCCCCCCCOOCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;d17;s18;d19;d16s20;s21;s15s22;d23;s22;s25;s26;s27;s22s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H28N2O3 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.2599 |
Area: | 592.741 |
Solvation: | -3.55864 |
Coulombic: | -46.4874 |
Bond Count [?]
All: | 33 |
Single: | 26 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 392.491 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 5 |
XLogP: | 3.45 |
LogP (Chemaxon): | 4.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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