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Chemical ID: 7117050
Chemical ID:
7117050
Name [?]:
2-(4-hydroxyphenyl)quinoline-4-carboxylate
SMILES [?]:
c1ccc2c(c1)c(cc(n2)c3ccc(cc3)O)C(=O)[O-]
InChi [?]:
InChI=1/C16H11NO3/c18-11-7-5-10(6-8-11)15-9-13(16(19)20)12-3-1-2-4-14(12)17-15/h1-9,18H,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,16,13,15,8,11,14,5,7,4,9,18,10,17,19,20/E:(5,6)(7,8)(19,20)/rA:20nCCCCCCCCCNCCCCCCOCOO-/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s9;s11;d12;s13;d14;d11s15;s14;s7;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H10NO3- |
All Atoms: | 30 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -30.3473 |
Area: | 443.473 |
Solvation: | -41.4341 |
Coulombic: | -25.8023 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 264.256 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.88 |
LogP (Chemaxon): | 3.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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