Chemical ID: 7183259

CCCCCCCc1ccc(o1)c2cc(c3cc(ccc3n2)C)C(=O)[O-]
Chemical ID:
7183259
Name [?]:
2-(5-heptyl-2-furyl)-6-methyl-quinoline-4-carboxylate
SMILES [?]:
CCCCCCCc1ccc(o1)c2cc(c3cc(ccc3n2)C)C(=O)[O-]
InChi [?]:
InChI=1/C22H25NO3/c1-3-4-5-6-7-8-16-10-12-21(26-16)20-14-18(22(24)25)17-13-15(2)9-11-19(17)23-20/h9-14H,3-8H2,1-2H3,(H,24,25)/p-1
InChi Info:
AuxInfo=1/1/N:1,23,2,3,4,5,6,7,19,9,20,10,17,14,18,8,16,15,21,13,11,24,22,25,26,12/E:(24,25)/rA:26nCCCCCCCCCCCOCCCCCCCCCNCCOO-/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s15;s16;d17;s18;d19;d16s20;d13s21;s18;s15;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24NO3-
All Atoms:50
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:-27.092
Area:612.123
Solvation:-42.3951
Coulombic:-17.1021
Bond Count [?]
All:28
Single:20
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:350.431
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:5.76
LogP (Chemaxon):5.62

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Descriptor Annotations

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