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Chemical ID: 7741661
Chemical ID:
7741661
Name [?]:
None
SMILES [?]:
Cc1ccccc1C(=O)N2CCC3(CC2)CC(=O)c4ccccc4O3
InChi [?]:
InChI=1/C21H21NO3/c1-15-6-2-3-7-16(15)20(24)22-12-10-21(11-13-22)14-18(23)17-8-4-5-9-19(17)25-21/h2-9H,10-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,5,21,22,3,6,20,23,12,14,11,15,16,2,7,19,17,24,8,13,10,18,9,25/E:(10,11)(12,13)/rA:25nCCCCCCCCONCCCCCCCOCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;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: | 9.64973 |
Area: | 515.633 |
Solvation: | -3.24109 |
Coulombic: | -34.8483 |
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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