ChemDB: Chemical Search
Download
Chemical ID: 5757263
Chemical ID:
5757263
Name [?]:
6-hydroxy-2-imino-chromene-3-carbonitrile
SMILES [?]:
c1cc2c(cc1O)cc(c(=N)o2)C#N
InChi [?]:
InChI=1/C10H6N2O2/c11-5-7-3-6-4-8(13)1-2-9(6)14-10(7)12/h1-4,12-13H
InChi Info:
AuxInfo=1/0/N:1,2,8,5,13,4,9,6,3,10,14,11,7,12/rA:14nCCCCCCOCCCNOCN/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;w10;s3s10;s9;t13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H6N2O2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.02993 |
Area: | 352.545 |
Solvation: | -2.7837 |
Coulombic: | -39.0548 |
Bond Count [?]
All: | 15 |
Single: | 9 |
Double: | 5 |
Rotors: | 0 |
Chiral: | 1 |
Rigid Segments: | 1 |
Chemical Properties
Molecular Weight: | 186.167 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.82 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|