Chemical ID: 4619845

CCCOc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)O
Chemical ID:
4619845
Name [?]:
2-(4-propoxyphenyl)quinoline-4-carboxylic acid
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)
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:C19H17NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.85477
Area:519.208
Solvation:-3.12542
Coulombic:-42.4325
Bond Count [?]
All:25
Single:16
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:307.343
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.46
LogP (Chemaxon):4.29

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