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Chemical ID: 6355907
Chemical ID:
6355907
Name [?]:
2-chloro-N-(4-pyridylmethyl)pyridine-3-carboxamide
SMILES [?]:
c1cc(c(nc1)Cl)C(=O)NCc2ccncc2
InChi [?]:
InChI=1/C12H10ClN3O/c13-11-10(2-1-5-15-11)12(17)16-8-9-3-6-14-7-4-9/h1-7H,8H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,13,17,6,14,16,11,12,3,4,8,7,15,5,10,9/E:(3,4)(6,7)/rA:17nCCCCNCClCONCCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s3;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10ClN3O |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.69348 |
Area: | 429.946 |
Solvation: | -3.05516 |
Coulombic: | -31.4157 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 247.68 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.34 |
LogP (Chemaxon): | 0.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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