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Chemical ID: 7371002
Chemical ID:
7371002
Name [?]:
5,6-dichloro-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
SMILES [?]:
c1ccc(c(c1)CNC(=O)c2cc(c(nc2)Cl)Cl)F
InChi [?]:
InChI=1/C13H9Cl2FN2O/c14-10-5-9(7-17-12(10)15)13(19)18-6-8-3-1-2-4-11(8)16/h1-5,7H,6H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,7,16,5,11,13,4,14,9,18,17,19,15,8,10/rA:19nCCCCCCCNCOCCCCNCClClF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s14;s13;s4;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H9Cl2FN2O |
All Atoms: | 28 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01315 |
Area: | 476.503 |
Solvation: | -2.89943 |
Coulombic: | -32.4445 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 299.127 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.38 |
LogP (Chemaxon): | 2.96 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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