ChemDB: Chemical Search
Download
Chemical ID: 4712612
Chemical ID:
4712612
Name [?]:
2-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazol-3-one
SMILES [?]:
C1CCc2c(c(=O)n([nH]2)CCO)C1
InChi [?]:
InChI=1/C9H14N2O2/c12-6-5-11-9(13)7-3-1-2-4-8(7)10-11/h10,12H,1-6H2
InChi Info:
AuxInfo=1/0/N:1,2,13,3,10,11,5,4,6,9,8,12,7/rA:13nCCCCCCONNCCOC/rB:s1;s2;s3;d4;s5;d6;s6;s4s8;s8;s10;s11;s1s5;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H14N2O2 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.62485 |
Area: | 340.33 |
Solvation: | -2.88339 |
Coulombic: | -38.0117 |
Bond Count [?]
All: | 14 |
Single: | 12 |
Double: | 2 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 182.22 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | -0.07 |
LogP (Chemaxon): | 0.05 |
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 |
---|