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Chemical ID: 5645816
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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