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Chemical ID: 7709085
Chemical ID:
7709085
Name [?]:
None
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(=O)Nc2cccc3c2C(=O)N(C3=O)C
InChi [?]:
InChI=1/C20H20N2O3/c1-20(2,3)13-10-8-12(9-11-13)17(23)21-15-7-5-6-14-16(15)19(25)22(4)18(14)24/h5-11H,1-4H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,3,4,25,16,17,15,7,9,6,10,8,5,18,14,19,11,23,20,2,13,22,12,24,21/E:(1,2,3)(8,9)(10,11)/rA:25nCCCCCCCCCCCONCCCCCCCONCOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;d20;s20;s18s22;d23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O3 |
All Atoms: | 45 |
Heavy Atoms: | 25 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.9503 |
Area: | 543.033 |
Solvation: | -2.62555 |
Coulombic: | -49.5159 |
Bond Count [?]
All: | 27 |
Single: | 18 |
Double: | 9 |
Rotors: | 4 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.92 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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