Chemical ID: 7122699

CCCc1ccc(cc1)c2cc(c3ccccc3n2)C(=O)[O-]
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue