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Chemical ID: 7122699
Chemical ID:
7122699
Name [?]:
2-(4-propylphenyl)quinoline-4-carboxylate
SMILES [?]:
CCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)[O-]
InChi [?]:
InChI=1/C19H17NO2/c1-2-5-13-8-10-14(11-9-13)18-12-16(19(21)22)15-6-3-4-7-17(15)20-18/h3-4,6-12H,2,5H2,1H3,(H,21,22)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,15,16,3,14,17,5,9,6,8,11,4,7,13,12,18,10,20,19,21,22/E:(8,9)(10,11)(21,22)/rA:22nCCCCCCCCCCCCCCCCCCNCOO-/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;s10;d11;s12;s13;d14;s15;d16;d13s17;d10s18;s12;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16NO2- |
All Atoms: | 38 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -28.7796 |
Area: | 496.217 |
Solvation: | -41.185 |
Coulombic: | -10.7846 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 290.336 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.76 |
LogP (Chemaxon): | 5.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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