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Chemical ID: 5691286
Chemical ID:
5691286
Name [?]:
N-[(4-fluorophenyl)methyl]pyridine-2-carboxamide
SMILES [?]:
c1ccnc(c1)C(=O)NCc2ccc(cc2)F
InChi [?]:
InChI=1/C13H11FN2O/c14-11-6-4-10(5-7-11)9-16-13(17)12-3-1-2-8-15-12/h1-8H,9H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,16,13,15,3,10,11,14,5,7,17,4,9,8/E:(4,5)(6,7)/rA:17nCCCNCCCONCCCCCCCF/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s14;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11FN2O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.7745 |
Area: | 416.387 |
Solvation: | -2.63519 |
Coulombic: | -33.3152 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 230.238 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.13 |
LogP (Chemaxon): | 1.95 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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