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Chemical ID: 7117042
Chemical ID:
7117042
Name [?]:
3-methyl-2-phenyl-quinoline-4-carboxylate
SMILES [?]:
Cc1c(c2ccccc2nc1c3ccccc3)C(=O)[O-]
InChi [?]:
InChI=1/C17H13NO2/c1-11-15(17(19)20)13-9-5-6-10-14(13)18-16(11)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)/p-1
InChi Info:
AuxInfo=1/1/N:1,15,14,16,6,7,13,17,5,8,2,12,4,9,3,11,18,10,19,20/E:(3,4)(7,8)(19,20)/rA:20nCCCCCCCCCNCCCCCCCCOO-/rB:s1;s2;d3;s4;d5;s6;d7;s4s8;d9;d2s10;s11;s12;d13;s14;d15;d12s16;s3;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H12NO2- |
All Atoms: | 32 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -31.4539 |
Area: | 437.542 |
Solvation: | -42.3924 |
Coulombic: | -9.41933 |
Bond Count [?]
All: | 22 |
Single: | 13 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 262.283 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 3.51 |
LogP (Chemaxon): | 4.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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