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Chemical ID: 5292490
Chemical ID:
5292490
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2c(cc(=O)o3)CN4CCCCCC4
InChi [?]:
InChI=1/C20H21NO2/c22-19-13-16(14-21-11-5-1-2-6-12-21)20-17-8-4-3-7-15(17)9-10-18(20)23-19/h3-4,7-10,13H,1-2,5-6,11-12,14H2
InChi Info:
AuxInfo=1/0/N:20,21,1,2,19,22,6,3,7,8,18,23,12,16,5,11,4,9,13,10,17,14,15/E:(1,2)(5,6)(11,12)/rA:23nCCCCCCCCCCCCCOOCNCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s12;d13;s9s13;s11;s16;s17;s18;s19;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H21NO2 |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.58814 |
Area: | 471.028 |
Solvation: | -2.18757 |
Coulombic: | -25.9859 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 307.386 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.93 |
LogP (Chemaxon): | 4.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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