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Chemical ID: 7254972
Chemical ID:
7254972
Name [?]:
N-(3-chloro-4-cyano-phenyl)pyridine-2-carboxamide
SMILES [?]:
c1ccnc(c1)C(=O)Nc2ccc(c(c2)Cl)C#N
InChi [?]:
InChI=1/C13H8ClN3O/c14-11-7-10(5-4-9(11)8-15)17-13(18)12-3-1-2-6-16-12/h1-7H,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,11,3,15,17,13,10,14,5,7,16,18,4,9,8/rA:18nCCCNCCCONCCCCCCClCN/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s14;s13;t17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8ClN3O |
All Atoms: | 26 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.01311 |
Area: | 445.779 |
Solvation: | -2.13135 |
Coulombic: | -31.5669 |
Bond Count [?]
All: | 19 |
Single: | 11 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 257.675 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.17 |
LogP (Chemaxon): | 2.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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