Chemical ID: 7188256

CCCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)[O-]
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

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Descriptor Annotations

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