Chemical ID: 6425631

CCOC(=O)c1cn(c(=O)cc1O)Cc2ccccc2
Chemical ID:
6425631
Name [?]:
ethyl 1-benzyl-4-hydroxy-6-oxo-pyridine-3-carboxylate
SMILES [?]:
CCOC(=O)c1cn(c(=O)cc1O)Cc2ccccc2
InChi [?]:
InChI=1/C15H15NO4/c1-2-20-15(19)12-10-16(14(18)8-13(12)17)9-11-6-4-3-5-7-11/h3-8,10,17H,2,9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,19,16,20,11,14,7,15,6,12,9,4,8,13,10,5,3/E:(4,5)(6,7)/rA:20nCCOCOCCNCOCCOCCCCCCC/rB:s1;s2;s3;d4;s4;d6;s7;s8;d9;s9;s6d11;s12;s8;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H15NO4
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:7.83801
Area:465.182
Solvation:-3.79153
Coulombic:-51.4384
Bond Count [?]
All:21
Single:14
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:273.284
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.36
LogP (Chemaxon):2.82

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Descriptor Annotations

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