Chemical ID: 7311052

c1ccnc(c1)C(=O)Nc2cccc(c2)Cl
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

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Descriptor Annotations

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