Chemical ID: 4514412

c1ccc(cc1)NC(=O)c2ccncc2
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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Descriptor Annotations

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