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Chemical ID: 6440459
Chemical ID:
6440459
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)ccc3c2cc(o3)C(=O)NC4CCCCC4
InChi [?]:
InChI=1/C19H19NO2/c21-19(20-14-7-2-1-3-8-14)18-12-16-15-9-5-4-6-13(15)10-11-17(16)22-18/h4-6,9-12,14H,1-3,7-8H2,(H,20,21)
InChi Info:
AuxInfo=1/1/N:20,19,21,1,2,6,18,22,3,7,8,11,5,17,4,10,9,12,14,16,15,13/E:(2,3)(7,8)/rA:22nCCCCCCCCCCCCOCONCCCCCC/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;d11;s9s12;s12;d14;s14;s16;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H19NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5347 |
Area: | 493.718 |
Solvation: | -1.80822 |
Coulombic: | -33.6466 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 293.36 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.58 |
LogP (Chemaxon): | 3.87 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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