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Chemical ID: 7188256
Chemical ID:
7188256
Name [?]:
2-(4-propoxyphenyl)quinoline-4-carboxylate
SMILES [?]:
CCCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C19H17NO3/c1-2-11-23-14-9-7-13(8-10-14)18-12-16(19(21)22)15-5-3-4-6-17(15)20-18/h3-10,12H,2,11H2,1H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,16,17,15,18,7,9,6,10,3,12,8,5,14,13,19,11,21,20,22,23,4/E:(7,8)(9,10)(21,22)/rA:23nCCCOCCCCCCCCCCCCCCCNCOO-/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;s13;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16NO3- |
All Atoms: | 39 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -29.089 |
Area: | 517.597 |
Solvation: | -42.0289 |
Coulombic: | -17.5707 |
Bond Count [?]
All: | 25 |
Single: | 16 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 306.335 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 3.98 |
LogP (Chemaxon): | 4.29 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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