Chemical ID: 5645816

COC(=O)c1cccc(n1)C(=O)Nc2ccccc2
Chemical ID:
5645816
Name [?]:
methyl 6-(phenylcarbamoyl)pyridine-2-carboxylate
SMILES [?]:
COC(=O)c1cccc(n1)C(=O)Nc2ccccc2
InChi [?]:
InChI=1/C14H12N2O3/c1-19-14(18)12-9-5-8-11(16-12)13(17)15-10-6-3-2-4-7-10/h2-9H,1H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,7,15,19,8,6,14,9,5,11,3,13,10,12,4,2/E:(3,4)(6,7)/rA:19nCOCOCCCCCNCONCCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s9;d11;s11;s13;s14;d15;s16;d17;d14s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2O3
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.80261
Area:455.284
Solvation:-2.5795
Coulombic:-49.6395
Bond Count [?]
All:20
Single:12
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:256.257
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.86
LogP (Chemaxon):2.14

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Descriptor Annotations

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