Chemical ID: 5235299

Cc1ccc(cc1)OC(=O)c2ccc3ccccc3n2
Chemical ID:
5235299
Name [?]:
p-tolyl quinoline-2-carboxylate
SMILES [?]:
Cc1ccc(cc1)OC(=O)c2ccc3ccccc3n2
InChi [?]:
InChI=1/C17H13NO2/c1-12-6-9-14(10-7-12)20-17(19)16-11-8-13-4-2-3-5-15(13)18-16/h2-11H,1H3
InChi Info:
AuxInfo=1/0/N:1,16,17,15,18,3,7,13,4,6,12,2,14,5,19,11,9,20,10,8/E:(6,7)(9,10)/rA:20nCCCCCCCOCOCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;d11s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H13NO2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.5772
Area:460.516
Solvation:-1.9357
Coulombic:-28.6672
Bond Count [?]
All:22
Single:13
Double:9
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:263.291
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:4.15
LogP (Chemaxon):4.23

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