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Chemical ID: 7741662
Chemical ID:
7741662
Name [?]:
None
SMILES [?]:
Cc1cccc(c1)C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C21H21NO3/c1-15-5-4-6-16(13-15)20(24)22-11-9-21(10-12-22)14-18(23)17-7-2-3-8-19(17)25-21/h2-8,13H,9-12,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,21,22,4,3,5,20,23,12,14,11,15,7,16,2,6,19,17,24,8,13,10,18,9,25/E:(9,10)(11,12)/rA:25nCCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;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: | 9.7111 |
Area: | 520.288 |
Solvation: | -3.2961 |
Coulombic: | -34.6815 |
Bond Count [?]
All: | 28 |
Single: | 20 |
Double: | 8 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.73 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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