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Chemical ID: 7668054
Chemical ID:
7668054
Name [?]:
None
SMILES [?]:
CCCCN(c1ccc(cc1)C(=O)O)C(=O)c2ccc(cc2)C
InChi [?]:
InChI=1/C19H21NO3/c1-3-4-13-20(17-11-9-16(10-12-17)19(22)23)18(21)15-7-5-14(2)6-8-15/h5-12H,3-4,13H2,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,23,2,3,19,21,18,22,8,10,7,11,4,20,17,9,6,15,12,5,16,13,14/E:(5,6)(7,8)(9,10)(11,12)(22,23)/rA:23nCCCCNCCCCCCCOOCOCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s8;d9;d6s10;s9;d12;s12;s5;d15;s15;s17;d18;s19;d20;d17s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21NO3 |
All Atoms: | 44 |
Heavy Atoms: | 23 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.7355 |
Area: | 524.742 |
Solvation: | -2.38307 |
Coulombic: | -47.3049 |
Bond Count [?]
All: | 24 |
Single: | 16 |
Double: | 8 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.54 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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