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Chemical ID: 7741730
Chemical ID:
7741730
Name [?]:
None
SMILES [?]:
c1ccc(cc1)CC(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C21H21NO3/c23-18-15-21(25-19-9-5-4-8-17(18)19)10-12-22(13-11-21)20(24)14-16-6-2-1-3-7-16/h1-9H,10-15H2
InChi Info:
AuxInfo=1/0/N:1,2,6,21,22,3,5,20,23,12,14,11,15,7,16,4,19,17,24,8,13,10,18,9,25/E:(2,3)(6,7)(10,11)(12,13)/rA:25nCCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;s13;s10s14;s13;s16;d17;s17;s19;d20;s21;d22;d19s23;s13s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H21NO3 |
All Atoms: | 46 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 9.14696 |
Area: | 526.604 |
Solvation: | -4.01813 |
Coulombic: | -32.7452 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 3 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.11 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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