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Chemical ID: 6700882
Chemical ID:
6700882
Name [?]:
2-fluoro-N-(2-methyl-1H-quinolin-6-yl)-benzamide
SMILES [?]:
Cc1ccc2cc(ccc2[nH+]1)NC(=O)c3ccccc3F
InChi [?]:
InChI=1/C17H13FN2O/c1-11-6-7-12-10-13(8-9-16(12)19-11)20-17(21)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,20,21)/p+1
InChi Info:
AuxInfo=1/1/N:1,17,18,16,19,3,4,8,9,6,2,5,7,15,20,10,13,21,11,12,14/rA:21nCCCCCCCCCCN+NCOCCCCCCF/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;d2s10;s7;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H14FN2O+ |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -20.8629 |
Area: | 460.091 |
Solvation: | -32.3652 |
Coulombic: | -19.3869 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 281.304 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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