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Chemical ID: 7311052
Chemical ID:
7311052
Name [?]:
N-(3-chlorophenyl)pyridine-2-carboxamide
SMILES [?]:
c1ccnc(c1)C(=O)Nc2cccc(c2)Cl
InChi [?]:
InChI=1/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,12,13,11,6,3,15,14,10,5,7,16,4,9,8/rA:16nCCCNCCCONCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H9ClN2O |
All Atoms: | 25 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.57389 |
Area: | 410.149 |
Solvation: | -1.67982 |
Coulombic: | -29.2254 |
Bond Count [?]
All: | 17 |
Single: | 10 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 232.665 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.45 |
LogP (Chemaxon): | 2.71 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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