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Chemical ID: 4514412
Chemical ID:
4514412
Name [?]:
N-phenylpyridine-4-carboxamide
SMILES [?]:
c1ccc(cc1)NC(=O)c2ccncc2
InChi [?]:
InChI=1/C12H10N2O/c15-12(10-6-8-13-9-7-10)14-11-4-2-1-3-5-11/h1-9H,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,11,15,12,14,10,4,8,13,7,9/E:(2,3)(4,5)(6,7)(8,9)/rA:15nCCCCCCNCOCCCNCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H10N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.97691 |
Area: | 375.586 |
Solvation: | -2.41274 |
Coulombic: | -26.3267 |
Bond Count [?]
All: | 16 |
Single: | 9 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 198.221 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.74 |
LogP (Chemaxon): | 1.79 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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