Chemical ID: 6608576

COC(=O)c1cc(coc1=N)C(=O)c2cc(ccc2O)Cl
Chemical ID:
6608576
Name [?]:
methyl 5-(5-chloro-2-hydroxy-benzoyl)-2-imino-pyran-3-carboxylate
SMILES [?]:
COC(=O)c1cc(coc1=N)C(=O)c2cc(ccc2O)Cl
InChi [?]:
InChI=1/C14H10ClNO5/c1-20-14(19)10-4-7(6-21-13(10)16)12(18)9-5-8(15)2-3-11(9)17/h2-6,16-17H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,18,6,15,8,7,16,14,5,19,12,10,3,21,11,20,13,4,2,9/rA:21nCOCOCCCCOCNCOCCCCCCOCl/rB:s1;s2;d3;s3;d5;s6;d7;s8;s5s9;w10;s7;d12;s12;s14;d15;s16;d17;d14s18;s19;s16;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H10ClNO5
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:7.89347
Area:489.098
Solvation:-4.33398
Coulombic:-62.9129
Bond Count [?]
All:22
Single:14
Double:8
Rotors:4
Chiral:1
Rigid Segments:5
Chemical Properties
Molecular Weight:307.686
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.8
LogP (Chemaxon):3.19

Name Annotations

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Descriptor Annotations

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